5-[3-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

C74H42N8O2 — CID 129297298

IUPAC5-[3-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
SMILESc1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4nc5c6c(cccc6n4)Oc4cc(-c6cccc(-n7c8ccccc8c8c9c(ccc87)ccn9-c7ccc(-c8nc9c%10c(cccc%10n8)Oc8ccccc8-9)cc7)c6)ccc4-5)c23)cc1
InChIInChI=1S/C74H42N8O2/c1-2-14-47(15-3-1)79-40-38-53-58(79)36-34-51-50-17-4-7-22-59(50)82(72(51)53)74-76-57-21-12-26-64-68(57)70(78-74)55-33-29-46(42-65(55)84-64)45-13-10-16-49(41-45)81-60-23-8-5-18-52(60)66-61(81)35-30-43-37-39-80(71(43)66)48-31-27-44(28-32-48)73-75-56-20-11-25-63-67(56)69(77-73)54-19-6-9-24-62(54)83-63/h1-42H
InChIKeySZAHOPYKZDVHOI-UHFFFAOYSA-N
MW1075.20 g/mol
LogP18.53
Rot. Bonds6

About 5-[3-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

5-[3-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (PubChem CID 129297298) has the molecular formula C74H42N8O2 and a molecular weight of 1075.20 g/mol. Its IUPAC name is 5-[3-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.

Molecular Properties

Compound Name5-[3-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
PubChem CID129297298
Molecular FormulaC74H42N8O2
Molecular Weight1075.20 g/mol
Exact Mass1074.34
IUPAC Name5-[3-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
SMILESc1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4nc5c6c(cccc6n4)Oc4cc(-c6cccc(-n7c8ccccc8c8c9c(ccc87)ccn9-c7ccc(-c8nc9c%10c(cccc%10n8)Oc8ccccc8-9)cc7)c6)ccc4-5)c23)cc1
InChIInChI=1S/C74H42N8O2/c1-2-14-47(15-3-1)79-40-38-53-58(79)36-34-51-50-17-4-7-22-59(50)82(72(51)53)74-76-57-21-12-26-64-68(57)70(78-74)55-33-29-46(42-65(55)84-64)45-13-10-16-49(41-45)81-60-23-8-5-18-52(60)66-61(81)35-30-43-37-39-80(71(43)66)48-31-27-44(28-32-48)73-75-56-20-11-25-63-67(56)69(77-73)54-19-6-9-24-62(54)83-63/h1-42H
InChIKeySZAHOPYKZDVHOI-UHFFFAOYSA-N
XLogP18.53
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.20
LogP ≤ 518.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[3-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The IUPAC name of 5-[3-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (CID 129297298) is 5-[3-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.
What is the SMILES notation for 5-[3-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The canonical SMILES for 5-[3-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4nc5c6c(cccc6n4)Oc4cc(-c6cccc(-n7c8ccccc8c8c9c(ccc87)ccn9-c7ccc(-c8nc9c%10c(cccc%10n8)Oc8ccccc8-9)cc7)c6)ccc4-5)c23)cc1.
What is the InChIKey of 5-[3-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The InChIKey is SZAHOPYKZDVHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H42N8O2/c1-2-14-47(15-3-1)79-40-38-53-58(79)36-34-51-50-17-4-7-22-59(50)82(72(51)53)74-76-57-21-12-26-64-68(57)70(78-74)55-33-29-46(42-65(55)84-64)45-13-10-16-49(41-45)81-60-23-8-5-18-52(60)66-61(81)35-30-43-37-39-80(71(43)66)48-31-27-44(28-32-48)73-75-56-20-11-25-63-67(56)69(77-73)54-19-6-9-24-62(54)83-63/h1-42H.
What are the key properties of 5-[3-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
5-[3-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene has a molecular weight of 1075.20 g/mol, XLogP of 18.53, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is sourced from PubChem (CID 129297298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).