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

C45H27N5 — CID 129088892

IUPAC9-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
SMILESN#Cc1ccc2c3cc(-c4cccc(-c5ccc6nc7c8ccccc8nc(-c8ccccc8)c7n6c5)c4)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C45H27N5/c46-27-29-18-21-36-38-26-33(19-22-40(38)50(41(36)24-29)35-14-5-2-6-15-35)31-12-9-13-32(25-31)34-20-23-42-48-44-37-16-7-8-17-39(37)47-43(45(44)49(42)28-34)30-10-3-1-4-11-30/h1-26,28H
InChIKeySJFYVFSQCSEYFD-UHFFFAOYSA-N
MW637.75 g/mol
LogP11.01
Rot. Bonds4

About 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

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 (PubChem CID 129088892) has the molecular formula C45H27N5 and a molecular weight of 637.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID129088892
Molecular FormulaC45H27N5
Molecular Weight637.75 g/mol
Exact Mass637.23
IUPAC Name9-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
SMILESN#Cc1ccc2c3cc(-c4cccc(-c5ccc6nc7c8ccccc8nc(-c8ccccc8)c7n6c5)c4)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C45H27N5/c46-27-29-18-21-36-38-26-33(19-22-40(38)50(41(36)24-29)35-14-5-2-6-15-35)31-12-9-13-32(25-31)34-20-23-42-48-44-37-16-7-8-17-39(37)47-43(45(44)49(42)28-34)30-10-3-1-4-11-30/h1-26,28H
InChIKeySJFYVFSQCSEYFD-UHFFFAOYSA-N
XLogP11.01
TPSA58.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.75
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

13-[10-(6-isocyano-9-phenylcarbazol-3-yl)anthracen-9-yl]-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 140782494
6-(4-benzo[c]acridin-5-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 134169171
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
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
9-[3-[3-(3-cyanophenyl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126610493
9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 126610498
6-[3-(4,13-diazahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21,23,25-tridecaen-12-yl)phenyl]-9-phenylcarbazole-2-carbonitrile
CID 129265783
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile
CID 126610495
9-[5-cyano-2-[3-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155079936
9-phenyl-6-(22-phenyl-6,9,21-triazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaen-18-yl)carbazole-3-carbonitrile
CID 129311459
6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile
CID 122547852

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc2c3cc(-c4cccc(-c5ccc6nc7c8ccccc8nc(-c8ccccc8)c7n6c5)c4)ccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 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?
The InChIKey is SJFYVFSQCSEYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5/c46-27-29-18-21-36-38-26-33(19-22-40(38)50(41(36)24-29)35-14-5-2-6-15-35)31-12-9-13-32(25-31)34-20-23-42-48-44-37-16-7-8-17-39(37)47-43(45(44)49(42)28-34)30-10-3-1-4-11-30/h1-26,28H.
What are the key properties of 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?
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 has a molecular weight of 637.75 g/mol, XLogP of 11.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129088892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).