4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene

C134H96N12S2 — CID 158685922

IUPAC4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
SMILESCC1(C)c2cc(-c3cccc4c3sc3ccccc34)ccc2-n2c(-c3ccccc3)nc3cccc1c32.CC1(C)c2cc(-c3cccc4c3sc3ccccc34)ccc2-n2c(-c3ccncc3)nc3cccc1c32.CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-n2c(-c3ccncc3)nc3cccc1c32.CC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-n2c(-c3ccccc3)nc3cccc1c32
InChIInChI=1S/C34H25N3.C34H24N2S.C33H24N4.C33H23N3S/c1-34(2)26-20-19-23(36-29-17-8-6-13-24(29)25-14-7-9-18-30(25)36)21-31(26)37-32-27(34)15-10-16-28(32)35-33(37)22-11-4-3-5-12-22;1-34(2)26-15-9-16-28-31(26)36(33(35-28)21-10-4-3-5-11-21)29-19-18-22(20-27(29)34)23-13-8-14-25-24-12-6-7-17-30(24)37-32(23)25;1-33(2)25-10-7-11-27-31(25)37(32(35-27)21-16-18-34-19-17-21)30-15-14-22(20-26(30)33)36-28-12-5-3-8-23(28)24-9-4-6-13-29(24)36;1-33(2)25-10-6-11-27-30(25)36(32(35-27)20-15-17-34-18-16-20)28-14-13-21(19-26(28)33)22-8-5-9-24-23-7-3-4-12-29(23)37-31(22)24/h3-21H,1-2H3;2*3-20H,1-2H3;3-19H,1-2H3
InChIKeyIFSSTFHTVRXTHU-UHFFFAOYSA-N
MW1938.46 g/mol
LogP34.38
Rot. Bonds8

About 4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene

4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene (PubChem CID 158685922) has the molecular formula C134H96N12S2 and a molecular weight of 1938.46 g/mol. Its IUPAC name is 4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene.

Molecular Properties

Compound Name4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
PubChem CID158685922
Molecular FormulaC134H96N12S2
Molecular Weight1938.46 g/mol
Exact Mass1936.73
IUPAC Name4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
SMILESCC1(C)c2cc(-c3cccc4c3sc3ccccc34)ccc2-n2c(-c3ccccc3)nc3cccc1c32.CC1(C)c2cc(-c3cccc4c3sc3ccccc34)ccc2-n2c(-c3ccncc3)nc3cccc1c32.CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-n2c(-c3ccncc3)nc3cccc1c32.CC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-n2c(-c3ccccc3)nc3cccc1c32
InChIInChI=1S/C34H25N3.C34H24N2S.C33H24N4.C33H23N3S/c1-34(2)26-20-19-23(36-29-17-8-6-13-24(29)25-14-7-9-18-30(25)36)21-31(26)37-32-27(34)15-10-16-28(32)35-33(37)22-11-4-3-5-12-22;1-34(2)26-15-9-16-28-31(26)36(33(35-28)21-10-4-3-5-11-21)29-19-18-22(20-27(29)34)23-13-8-14-25-24-12-6-7-17-30(24)37-32(23)25;1-33(2)25-10-7-11-27-31(25)37(32(35-27)21-16-18-34-19-17-21)30-15-14-22(20-26(30)33)36-28-12-5-3-8-23(28)24-9-4-6-13-29(24)36;1-33(2)25-10-6-11-27-30(25)36(32(35-27)20-15-17-34-18-16-20)28-14-13-21(19-26(28)33)22-8-5-9-24-23-7-3-4-12-29(23)37-31(22)24/h3-21H,1-2H3;2*3-20H,1-2H3;3-19H,1-2H3
InChIKeyIFSSTFHTVRXTHU-UHFFFAOYSA-N
XLogP34.38
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001938.46
LogP ≤ 534.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene with MolForge

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Related Compounds

5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
CID 121353979
5-dibenzothiophen-4-yl-8,8-diphenyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
CID 138477943
5-dibenzothiophen-4-yl-8,8-diphenyl-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
CID 140703665
3-dibenzothiophen-4-yl-9-[3-(1,7-diphenylbenzimidazol-2-yl)phenyl]carbazole
CID 67818577
3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole
CID 67816856
8,8-dimethyl-5-(9-phenylcarbazol-3-yl)-15-pyrimidin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
CID 140703635
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691
2'-dibenzothiophen-4-yl-9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]
CID 135140336
9-[5-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridin-4-ylphenyl]carbazole
CID 172500088
3,6-di(carbazol-9-yl)-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155233234
3-dibenzothiophen-4-yl-9-[3-[6-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole
CID 153214639
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-10-(9,9-dimethylfluoren-2-yl)-9,9-dimethylacridine
CID 70936103

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?
The IUPAC name of 4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene (CID 158685922) is 4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene.
What is the SMILES notation for 4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?
The canonical SMILES for 4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene is CC1(C)c2cc(-c3cccc4c3sc3ccccc34)ccc2-n2c(-c3ccccc3)nc3cccc1c32.CC1(C)c2cc(-c3cccc4c3sc3ccccc34)ccc2-n2c(-c3ccncc3)nc3cccc1c32.CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-n2c(-c3ccncc3)nc3cccc1c32.CC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-n2c(-c3ccccc3)nc3cccc1c32.
What is the InChIKey of 4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?
The InChIKey is IFSSTFHTVRXTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N3.C34H24N2S.C33H24N4.C33H23N3S/c1-34(2)26-20-19-23(36-29-17-8-6-13-24(29)25-14-7-9-18-30(25)36)21-31(26)37-32-27(34)15-10-16-28(32)35-33(37)22-11-4-3-5-12-22;1-34(2)26-15-9-16-28-31(26)36(33(35-28)21-10-4-3-5-11-21)29-19-18-22(20-27(29)34)23-13-8-14-25-24-12-6-7-17-30(24)37-32(23)25;1-33(2)25-10-7-11-27-31(25)37(32(35-27)21-16-18-34-19-17-21)30-15-14-22(20-26(30)33)36-28-12-5-3-8-23(28)24-9-4-6-13-29(24)36;1-33(2)25-10-6-11-27-30(25)36(32(35-27)20-15-17-34-18-16-20)28-14-13-21(19-26(28)33)22-8-5-9-24-23-7-3-4-12-29(23)37-31(22)24/h3-21H,1-2H3;2*3-20H,1-2H3;3-19H,1-2H3.
What are the key properties of 4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?
4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene has a molecular weight of 1938.46 g/mol, XLogP of 34.38, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene is sourced from PubChem (CID 158685922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).