6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile

C38H22N4O — CID 134389026

IUPAC6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc(-c4ccc5nc6c7ccccc7oc6n5c4)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C38H22N4O/c39-22-24-10-17-33-31(20-24)32-21-27(15-18-34(32)42(33)29-6-2-1-3-7-29)25-11-13-26(14-12-25)28-16-19-36-40-37-30-8-4-5-9-35(30)43-38(37)41(36)23-28/h1-21,23H
InChIKeyYBBHZSIOHPTLBO-UHFFFAOYSA-N
MW550.62 g/mol
LogP9.54
Rot. Bonds3

About 6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile

6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile (PubChem CID 134389026) has the molecular formula C38H22N4O and a molecular weight of 550.62 g/mol. Its IUPAC name is 6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
PubChem CID134389026
Molecular FormulaC38H22N4O
Molecular Weight550.62 g/mol
Exact Mass550.18
IUPAC Name6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc(-c4ccc5nc6c7ccccc7oc6n5c4)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C38H22N4O/c39-22-24-10-17-33-31(20-24)32-21-27(15-18-34(32)42(33)29-6-2-1-3-7-29)25-11-13-26(14-12-25)28-16-19-36-40-37-30-8-4-5-9-35(30)43-38(37)41(36)23-28/h1-21,23H
InChIKeyYBBHZSIOHPTLBO-UHFFFAOYSA-N
XLogP9.54
TPSA59.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.62
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile with MolForge

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Related Compounds

8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
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CID 159170044
9-phenyl-6-[3-(9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-13-yl)phenyl]carbazole-2-carbonitrile
CID 129088892
9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile
CID 118152672
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 118152758
6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile
CID 122547852
4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile
CID 134223410
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
6-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]-9-phenylcarbazole-3-carbonitrile
CID 118153014
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
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Frequently Asked Questions

What is the IUPAC name of 6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile?
The IUPAC name of 6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile (CID 134389026) is 6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile.
What is the SMILES notation for 6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile?
The canonical SMILES for 6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3ccc(-c4ccc5nc6c7ccccc7oc6n5c4)cc3)ccc1n2-c1ccccc1.
What is the InChIKey of 6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile?
The InChIKey is YBBHZSIOHPTLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O/c39-22-24-10-17-33-31(20-24)32-21-27(15-18-34(32)42(33)29-6-2-1-3-7-29)25-11-13-26(14-12-25)28-16-19-36-40-37-30-8-4-5-9-35(30)43-38(37)41(36)23-28/h1-21,23H.
What are the key properties of 6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile?
6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile has a molecular weight of 550.62 g/mol, XLogP of 9.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile is sourced from PubChem (CID 134389026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).