15-phenyl-10-[12-(6-pyridin-4-yl-2-pyridinyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-[12-(4-quinolin-8-ylphenyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile

C103H59N7 — CID 158347223

About 15-phenyl-10-[12-(6-pyridin-4-yl-2-pyridinyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-[12-(4-quinolin-8-ylphenyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile

15-phenyl-10-[12-(6-pyridin-4-yl-2-pyridinyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-[12-(4-quinolin-8-ylphenyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile (PubChem CID 158347223) has the molecular formula C103H59N7 and a molecular weight of 1394.65 g/mol. Its IUPAC name is 15-phenyl-10-[12-(6-pyridin-4-yl-2-pyridinyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-[12-(4-quinolin-8-ylphenyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile.

Molecular Properties

• Compound Name: 15-phenyl-10-[12-(6-pyridin-4-yl-2-pyridinyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-[12-(4-quinolin-8-ylphenyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile
• PubChem CID: 158347223
• Molecular Formula: C103H59N7
• Molecular Weight: 1394.65 g/mol
• Exact Mass: 1393.48
• IUPAC Name: 15-phenyl-10-[12-(6-pyridin-4-yl-2-pyridinyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-[12-(4-quinolin-8-ylphenyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile
• SMILES: N#Cc1cc2ccc3cc(-c4cc5c6ccccc6c(-c6ccc(-c7cccc8cccnc78)cc6)cc5c5ccccc45)cc4c3c2c(c1)n4-c1ccccc1.N#Cc1cc2ccc3cc(-c4cc5c6ccccc6c(-c6cccc(-c7ccncc7)n6)cc5c5ccccc45)cc4c3c2c(c1)n4-c1ccccc1
• InChI: InChI=1S/C54H31N3.C49H28N4/c55-32-33-26-37-23-24-38-28-39(29-51-53(38)52(37)50(27-33)57(51)40-12-2-1-3-13-40)47-31-49-44-16-6-4-14-42(44)46(30-48(49)45-17-7-5-15-43(45)47)35-21-19-34(20-22-35)41-18-8-10-36-11-9-25-56-54(36)41;50-29-30-23-32-17-18-33-25-34(26-47-49(33)48(32)46(24-30)53(47)35-9-2-1-3-10-35)40-27-41-38-13-6-7-14-39(38)43(28-42(41)37-12-5-4-11-36(37)40)45-16-8-15-44(52-45)31-19-21-51-22-20-31/h1-31H;1-28H
• InChIKey: GRWMMQHTKQJMSI-UHFFFAOYSA-N
• XLogP: 26.75
• TPSA: 96.11 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1394.65
LogP ≤ 5	26.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-10-[12-(6-pyridin-4-yl-2-pyridinyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-[12-(4-quinolin-8-ylphenyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile?

The IUPAC name of 15-phenyl-10-[12-(6-pyridin-4-yl-2-pyridinyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-[12-(4-quinolin-8-ylphenyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile (CID 158347223) is 15-phenyl-10-[12-(6-pyridin-4-yl-2-pyridinyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-[12-(4-quinolin-8-ylphenyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile.

What is the SMILES notation for 15-phenyl-10-[12-(6-pyridin-4-yl-2-pyridinyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-[12-(4-quinolin-8-ylphenyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile?

The canonical SMILES for 15-phenyl-10-[12-(6-pyridin-4-yl-2-pyridinyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-[12-(4-quinolin-8-ylphenyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile is N#Cc1cc2ccc3cc(-c4cc5c6ccccc6c(-c6ccc(-c7cccc8cccnc78)cc6)cc5c5ccccc45)cc4c3c2c(c1)n4-c1ccccc1.N#Cc1cc2ccc3cc(-c4cc5c6ccccc6c(-c6cccc(-c7ccncc7)n6)cc5c5ccccc45)cc4c3c2c(c1)n4-c1ccccc1.

What is the InChIKey of 15-phenyl-10-[12-(6-pyridin-4-yl-2-pyridinyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-[12-(4-quinolin-8-ylphenyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile?

The InChIKey is GRWMMQHTKQJMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31N3.C49H28N4/c55-32-33-26-37-23-24-38-28-39(29-51-53(38)52(37)50(27-33)57(51)40-12-2-1-3-13-40)47-31-49-44-16-6-4-14-42(44)46(30-48(49)45-17-7-5-15-43(45)47)35-21-19-34(20-22-35)41-18-8-10-36-11-9-25-56-54(36)41;50-29-30-23-32-17-18-33-25-34(26-47-49(33)48(32)46(24-30)53(47)35-9-2-1-3-10-35)40-27-41-38-13-6-7-14-39(38)43(28-42(41)37-12-5-4-11-36(37)40)45-16-8-15-44(52-45)31-19-21-51-22-20-31/h1-31H;1-28H.

What are the key properties of 15-phenyl-10-[12-(6-pyridin-4-yl-2-pyridinyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-[12-(4-quinolin-8-ylphenyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile?

15-phenyl-10-[12-(6-pyridin-4-yl-2-pyridinyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-[12-(4-quinolin-8-ylphenyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile has a molecular weight of 1394.65 g/mol, XLogP of 26.75, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 15-phenyl-10-[12-(6-pyridin-4-yl-2-pyridinyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-[12-(4-quinolin-8-ylphenyl)chrysen-6-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile is sourced from PubChem (CID 158347223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).