10-[3-(2-methylphenyl)phenyl]-14-pyridin-2-yl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-2-carbonitrile

C36H23N5 — CID 165164287

IUPAC10-[3-(2-methylphenyl)phenyl]-14-pyridin-2-yl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-2-carbonitrile
SMILESCc1ccccc1-c1cccc(-n2c3ccccc3c3c(C#N)c4c5ccccc5n(-c5ccccn5)c4nc32)c1
InChIInChI=1S/C36H23N5/c1-23-11-2-3-14-26(23)24-12-10-13-25(21-24)40-30-17-6-4-15-27(30)33-29(22-37)34-28-16-5-7-18-31(28)41(36(34)39-35(33)40)32-19-8-9-20-38-32/h2-21H,1H3
InChIKeyDSQMMTRXXPGKDT-UHFFFAOYSA-N
MW525.62 g/mol
LogP8.52
Rot. Bonds3

About 10-[3-(2-methylphenyl)phenyl]-14-pyridin-2-yl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-2-carbonitrile

10-[3-(2-methylphenyl)phenyl]-14-pyridin-2-yl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-2-carbonitrile (PubChem CID 165164287) has the molecular formula C36H23N5 and a molecular weight of 525.62 g/mol. Its IUPAC name is 10-[3-(2-methylphenyl)phenyl]-14-pyridin-2-yl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-2-carbonitrile.

Molecular Properties

Compound Name10-[3-(2-methylphenyl)phenyl]-14-pyridin-2-yl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-2-carbonitrile
PubChem CID165164287
Molecular FormulaC36H23N5
Molecular Weight525.62 g/mol
Exact Mass525.20
IUPAC Name10-[3-(2-methylphenyl)phenyl]-14-pyridin-2-yl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-2-carbonitrile
SMILESCc1ccccc1-c1cccc(-n2c3ccccc3c3c(C#N)c4c5ccccc5n(-c5ccccn5)c4nc32)c1
InChIInChI=1S/C36H23N5/c1-23-11-2-3-14-26(23)24-12-10-13-25(21-24)40-30-17-6-4-15-27(30)33-29(22-37)34-28-16-5-7-18-31(28)41(36(34)39-35(33)40)32-19-8-9-20-38-32/h2-21H,1H3
InChIKeyDSQMMTRXXPGKDT-UHFFFAOYSA-N
XLogP8.52
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.62
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[3-(2-methylphenyl)phenyl]-14-pyridin-2-yl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-2-carbonitrile with MolForge

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Related Compounds

10-(4-tert-butyl-2-pyridinyl)-14-(3-phenylphenyl)-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-2-carbonitrile
CID 165164108
10-(3-tert-butylphenyl)-14-[3-(2,5-dimethyl-4-phenylphenyl)phenyl]-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-2-carbonitrile
CID 165164380
9-[3-(2-methylphenyl)phenyl]-7-pyridin-2-ylbenzo[c]carbazole
CID 90175626
2-tert-butyl-10-(4-methyl-5-phenyl-2-pyridinyl)-14-(3-phenylphenyl)-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
CID 165164388
3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile
CID 132917496
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216720
2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139507231
2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 155081407
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877
4-phenyl-6-pyridin-2-ylindolo[2,3-b]quinoline
CID 157124966
2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523680

Frequently Asked Questions

What is the IUPAC name of 10-[3-(2-methylphenyl)phenyl]-14-pyridin-2-yl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-2-carbonitrile?
The IUPAC name of 10-[3-(2-methylphenyl)phenyl]-14-pyridin-2-yl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-2-carbonitrile (CID 165164287) is 10-[3-(2-methylphenyl)phenyl]-14-pyridin-2-yl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-2-carbonitrile.
What is the SMILES notation for 10-[3-(2-methylphenyl)phenyl]-14-pyridin-2-yl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-2-carbonitrile?
The canonical SMILES for 10-[3-(2-methylphenyl)phenyl]-14-pyridin-2-yl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-2-carbonitrile is Cc1ccccc1-c1cccc(-n2c3ccccc3c3c(C#N)c4c5ccccc5n(-c5ccccn5)c4nc32)c1.
What is the InChIKey of 10-[3-(2-methylphenyl)phenyl]-14-pyridin-2-yl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-2-carbonitrile?
The InChIKey is DSQMMTRXXPGKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N5/c1-23-11-2-3-14-26(23)24-12-10-13-25(21-24)40-30-17-6-4-15-27(30)33-29(22-37)34-28-16-5-7-18-31(28)41(36(34)39-35(33)40)32-19-8-9-20-38-32/h2-21H,1H3.
What are the key properties of 10-[3-(2-methylphenyl)phenyl]-14-pyridin-2-yl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-2-carbonitrile?
10-[3-(2-methylphenyl)phenyl]-14-pyridin-2-yl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-2-carbonitrile has a molecular weight of 525.62 g/mol, XLogP of 8.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(2-methylphenyl)phenyl]-14-pyridin-2-yl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-2-carbonitrile is sourced from PubChem (CID 165164287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).