15-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(9-phenylpyrrolo[3,2-b]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(9-phenylpyrrolo[2,3-b]carbazol-1-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(6-phenylpyrrolo[2,3-c]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C222H132N24O6 — CID 158437143

IUPAC15-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(9-phenylpyrrolo[3,2-b]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(9-phenylpyrrolo[2,3-b]carbazol-1-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(6-phenylpyrrolo[2,3-c]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc(-n2c3ccccc3c3c4ccn(-c5nc6c7c(cccc7n5)Oc5ccccc5-6)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c(ccn4-c4nc5c6c(cccc6n4)Oc4ccccc4-5)cc32)cc1.c1ccc(-n2c3ccccc3c3cc4ccn(-c5ccc(-c6nc7c8c(cccc8n6)Oc6ccccc6-7)cc5)c4cc32)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc4c5c(cccc5n3)Oc3ccccc3-4)cc2)cc1.c1ccc(-n2ccc3cc4c5ccccc5n(-c5ccc(-c6nc7c8c(cccc8n6)Oc6ccccc6-7)cc5)c4cc32)cc1.c1ccc(-n2ccc3ccc4c5ccccc5n(-c5nc6c7c(cccc7n5)Oc5ccccc5-6)c4c32)cc1
InChIInChI=1S/3C40H24N4O.3C34H20N4O/c1-2-9-28(10-3-1)44-33-14-6-4-11-29(33)31-23-26-21-22-43(34(26)24-35(31)44)27-19-17-25(18-20-27)40-41-32-13-8-16-37-38(32)39(42-40)30-12-5-7-15-36(30)45-37;1-2-9-27(10-3-1)43-22-21-26-23-35-31(24-34(26)43)29-11-4-6-14-33(29)44(35)28-19-17-25(18-20-28)40-41-32-13-8-16-37-38(32)39(42-40)30-12-5-7-15-36(30)45-37;1-2-9-27(10-3-1)43-22-21-26-23-31-29-11-4-6-14-33(29)44(35(31)24-34(26)43)28-19-17-25(18-20-28)40-41-32-13-8-16-37-38(32)39(42-40)30-12-5-7-15-36(30)45-37;1-2-9-22(10-3-1)38-27-14-6-4-11-23(27)25-20-28-21(19-29(25)38)17-18-37(28)34-35-26-13-8-16-31-32(26)33(36-34)24-12-5-7-15-30(24)39-31;1-2-9-22(10-3-1)37-20-19-21-17-18-24-23-11-4-6-14-27(23)38(33(24)32(21)37)34-35-26-13-8-16-29-30(26)31(36-34)25-12-5-7-15-28(25)39-29;1-2-9-21(10-3-1)38-27-14-6-4-11-22(27)31-23-19-20-37(26(23)17-18-28(31)38)34-35-25-13-8-16-30-32(25)33(36-34)24-12-5-7-15-29(24)39-30/h3*1-24H;3*1-20H
InChIKeyHCJFSUVRUXXATD-UHFFFAOYSA-N
MW3231.66 g/mol
LogP55.66
Rot. Bonds15

About 15-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(9-phenylpyrrolo[3,2-b]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(9-phenylpyrrolo[2,3-b]carbazol-1-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(6-phenylpyrrolo[2,3-c]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

15-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(9-phenylpyrrolo[3,2-b]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(9-phenylpyrrolo[2,3-b]carbazol-1-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(6-phenylpyrrolo[2,3-c]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 158437143) has the molecular formula C222H132N24O6 and a molecular weight of 3231.66 g/mol. Its IUPAC name is 15-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(9-phenylpyrrolo[3,2-b]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(9-phenylpyrrolo[2,3-b]carbazol-1-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(6-phenylpyrrolo[2,3-c]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name15-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(9-phenylpyrrolo[3,2-b]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(9-phenylpyrrolo[2,3-b]carbazol-1-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(6-phenylpyrrolo[2,3-c]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID158437143
Molecular FormulaC222H132N24O6
Molecular Weight3231.66 g/mol
Exact Mass3229.08
IUPAC Name15-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(9-phenylpyrrolo[3,2-b]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(9-phenylpyrrolo[2,3-b]carbazol-1-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(6-phenylpyrrolo[2,3-c]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc(-n2c3ccccc3c3c4ccn(-c5nc6c7c(cccc7n5)Oc5ccccc5-6)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c(ccn4-c4nc5c6c(cccc6n4)Oc4ccccc4-5)cc32)cc1.c1ccc(-n2c3ccccc3c3cc4ccn(-c5ccc(-c6nc7c8c(cccc8n6)Oc6ccccc6-7)cc5)c4cc32)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc4c5c(cccc5n3)Oc3ccccc3-4)cc2)cc1.c1ccc(-n2ccc3cc4c5ccccc5n(-c5ccc(-c6nc7c8c(cccc8n6)Oc6ccccc6-7)cc5)c4cc32)cc1.c1ccc(-n2ccc3ccc4c5ccccc5n(-c5nc6c7c(cccc7n5)Oc5ccccc5-6)c4c32)cc1
InChIInChI=1S/3C40H24N4O.3C34H20N4O/c1-2-9-28(10-3-1)44-33-14-6-4-11-29(33)31-23-26-21-22-43(34(26)24-35(31)44)27-19-17-25(18-20-27)40-41-32-13-8-16-37-38(32)39(42-40)30-12-5-7-15-36(30)45-37;1-2-9-27(10-3-1)43-22-21-26-23-35-31(24-34(26)43)29-11-4-6-14-33(29)44(35)28-19-17-25(18-20-28)40-41-32-13-8-16-37-38(32)39(42-40)30-12-5-7-15-36(30)45-37;1-2-9-27(10-3-1)43-22-21-26-23-31-29-11-4-6-14-33(29)44(35(31)24-34(26)43)28-19-17-25(18-20-28)40-41-32-13-8-16-37-38(32)39(42-40)30-12-5-7-15-36(30)45-37;1-2-9-22(10-3-1)38-27-14-6-4-11-23(27)25-20-28-21(19-29(25)38)17-18-37(28)34-35-26-13-8-16-31-32(26)33(36-34)24-12-5-7-15-30(24)39-31;1-2-9-22(10-3-1)37-20-19-21-17-18-24-23-11-4-6-14-27(23)38(33(24)32(21)37)34-35-26-13-8-16-29-30(26)31(36-34)25-12-5-7-15-28(25)39-29;1-2-9-21(10-3-1)38-27-14-6-4-11-22(27)31-23-19-20-37(26(23)17-18-28(31)38)34-35-25-13-8-16-30-32(25)33(36-34)24-12-5-7-15-29(24)39-30/h3*1-24H;3*1-20H
InChIKeyHCJFSUVRUXXATD-UHFFFAOYSA-N
XLogP55.66
TPSA269.22 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds15
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003231.66
LogP ≤ 555.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 15-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(9-phenylpyrrolo[3,2-b]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(9-phenylpyrrolo[2,3-b]carbazol-1-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(6-phenylpyrrolo[2,3-c]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene with MolForge

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bis(6-methyl-5-[[3-[9-(oxan-2-yl)purin-6-yl]-2-pyridinyl]methyl]-N-[3-(trifluoromethoxy)phenyl]isoquinolin-1-amine);6-methyl-1-N-[3-(trifluoromethoxy)phenyl]isoquinoline-1,5-diamine
CID 159026080
N,N-dimethyl-2-[3-[6-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzene-2-id-1-yl]oxypyridin-4-amine;N,N-dimethyl-2-[3-[6-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]oxypyridin-4-amine;N,N-dimethyl-2-[3-[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]oxypyridin-4-amine;pentakis(platinum(2+));N,N,5-trimethyl-2-[3-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-2-id-1-yl]oxypyridin-3-amine;N,N,5-trimethyl-2-[3-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-2-id-1-yl]oxypyridin-4-amine
CID 159430460

Frequently Asked Questions

What is the IUPAC name of 15-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(9-phenylpyrrolo[3,2-b]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(9-phenylpyrrolo[2,3-b]carbazol-1-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(6-phenylpyrrolo[2,3-c]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 15-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(9-phenylpyrrolo[3,2-b]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(9-phenylpyrrolo[2,3-b]carbazol-1-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(6-phenylpyrrolo[2,3-c]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 158437143) is 15-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(9-phenylpyrrolo[3,2-b]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(9-phenylpyrrolo[2,3-b]carbazol-1-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(6-phenylpyrrolo[2,3-c]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 15-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(9-phenylpyrrolo[3,2-b]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(9-phenylpyrrolo[2,3-b]carbazol-1-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(6-phenylpyrrolo[2,3-c]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 15-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(9-phenylpyrrolo[3,2-b]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(9-phenylpyrrolo[2,3-b]carbazol-1-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(6-phenylpyrrolo[2,3-c]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc(-n2c3ccccc3c3c4ccn(-c5nc6c7c(cccc7n5)Oc5ccccc5-6)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c(ccn4-c4nc5c6c(cccc6n4)Oc4ccccc4-5)cc32)cc1.c1ccc(-n2c3ccccc3c3cc4ccn(-c5ccc(-c6nc7c8c(cccc8n6)Oc6ccccc6-7)cc5)c4cc32)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc4c5c(cccc5n3)Oc3ccccc3-4)cc2)cc1.c1ccc(-n2ccc3cc4c5ccccc5n(-c5ccc(-c6nc7c8c(cccc8n6)Oc6ccccc6-7)cc5)c4cc32)cc1.c1ccc(-n2ccc3ccc4c5ccccc5n(-c5nc6c7c(cccc7n5)Oc5ccccc5-6)c4c32)cc1.
What is the InChIKey of 15-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(9-phenylpyrrolo[3,2-b]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(9-phenylpyrrolo[2,3-b]carbazol-1-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(6-phenylpyrrolo[2,3-c]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is HCJFSUVRUXXATD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C40H24N4O.3C34H20N4O/c1-2-9-28(10-3-1)44-33-14-6-4-11-29(33)31-23-26-21-22-43(34(26)24-35(31)44)27-19-17-25(18-20-27)40-41-32-13-8-16-37-38(32)39(42-40)30-12-5-7-15-36(30)45-37;1-2-9-27(10-3-1)43-22-21-26-23-35-31(24-34(26)43)29-11-4-6-14-33(29)44(35)28-19-17-25(18-20-28)40-41-32-13-8-16-37-38(32)39(42-40)30-12-5-7-15-36(30)45-37;1-2-9-27(10-3-1)43-22-21-26-23-31-29-11-4-6-14-33(29)44(35(31)24-34(26)43)28-19-17-25(18-20-28)40-41-32-13-8-16-37-38(32)39(42-40)30-12-5-7-15-36(30)45-37;1-2-9-22(10-3-1)38-27-14-6-4-11-23(27)25-20-28-21(19-29(25)38)17-18-37(28)34-35-26-13-8-16-31-32(26)33(36-34)24-12-5-7-15-30(24)39-31;1-2-9-22(10-3-1)37-20-19-21-17-18-24-23-11-4-6-14-27(23)38(33(24)32(21)37)34-35-26-13-8-16-29-30(26)31(36-34)25-12-5-7-15-28(25)39-29;1-2-9-21(10-3-1)38-27-14-6-4-11-22(27)31-23-19-20-37(26(23)17-18-28(31)38)34-35-25-13-8-16-30-32(25)33(36-34)24-12-5-7-15-29(24)39-30/h3*1-24H;3*1-20H.
What are the key properties of 15-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(9-phenylpyrrolo[3,2-b]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(9-phenylpyrrolo[2,3-b]carbazol-1-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(6-phenylpyrrolo[2,3-c]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
15-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(9-phenylpyrrolo[3,2-b]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(9-phenylpyrrolo[2,3-b]carbazol-1-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(6-phenylpyrrolo[2,3-c]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 3231.66 g/mol, XLogP of 55.66, 15 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(9-phenylpyrrolo[3,2-b]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[4-(9-phenylpyrrolo[2,3-b]carbazol-1-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(6-phenylpyrrolo[2,3-c]carbazol-3-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 158437143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).