3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile

C195H119N5 — CID 159499972

IUPAC3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile
SMILESN#Cc1ccc(-c2cc3cc(-c4ccccc4)c4ccccc4c3c3ccccc23)cc1.N#Cc1ccc(-c2ccc(-c3ccc4cc(-c5cc6ccc7ccccc7c6c6ccccc56)ccc4c3)cc2)cc1.N#Cc1ccc(-c2cccc(-c3ccc4cc(-c5cc6ccc7ccccc7c6c6ccccc56)ccc4c3)c2)cc1.N#Cc1cccc(-c2ccc(-c3ccc4cc(-c5cc6ccc7ccccc7c6c6ccccc56)ccc4c3)cc2)c1.[C-]#[N+]c1ccc(-c2ccccc2-c2ccc3cc(-c4cc5ccc6ccccc6c5c5ccccc45)ccc3c2)cc1
InChIInChI=1S/4C41H25N.C31H19N/c1-42-34-22-20-28(21-23-34)35-9-4-5-10-36(35)31-17-15-30-25-32(18-16-29(30)24-31)40-26-33-19-14-27-8-2-3-11-37(27)41(33)39-13-7-6-12-38(39)40;42-26-27-6-5-8-31(22-27)28-12-14-29(15-13-28)32-17-18-34-24-35(20-19-33(34)23-32)40-25-36-21-16-30-7-1-2-9-37(30)41(36)39-11-4-3-10-38(39)40;42-26-27-12-14-28(15-13-27)30-7-5-8-31(22-30)32-17-18-34-24-35(20-19-33(34)23-32)40-25-36-21-16-29-6-1-2-9-37(29)41(36)39-11-4-3-10-38(39)40;42-26-27-9-11-28(12-10-27)29-13-15-30(16-14-29)32-18-19-34-24-35(21-20-33(34)23-32)40-25-36-22-17-31-5-1-2-6-37(31)41(36)39-8-4-3-7-38(39)40;32-20-21-14-16-23(17-15-21)30-19-24-18-29(22-8-2-1-3-9-22)25-10-4-6-12-27(25)31(24)28-13-7-5-11-26(28)30/h2-26H;3*1-25H;1-19H
InChIKeyLZGKNQIFURQYQJ-UHFFFAOYSA-N
MW2532.13 g/mol
LogP53.72
Rot. Bonds14

About 3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile

3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile (PubChem CID 159499972) has the molecular formula C195H119N5 and a molecular weight of 2532.13 g/mol. Its IUPAC name is 3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile.

Molecular Properties

Compound Name3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile
PubChem CID159499972
Molecular FormulaC195H119N5
Molecular Weight2532.13 g/mol
Exact Mass2529.95
IUPAC Name3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile
SMILESN#Cc1ccc(-c2cc3cc(-c4ccccc4)c4ccccc4c3c3ccccc23)cc1.N#Cc1ccc(-c2ccc(-c3ccc4cc(-c5cc6ccc7ccccc7c6c6ccccc56)ccc4c3)cc2)cc1.N#Cc1ccc(-c2cccc(-c3ccc4cc(-c5cc6ccc7ccccc7c6c6ccccc56)ccc4c3)c2)cc1.N#Cc1cccc(-c2ccc(-c3ccc4cc(-c5cc6ccc7ccccc7c6c6ccccc56)ccc4c3)cc2)c1.[C-]#[N+]c1ccc(-c2ccccc2-c2ccc3cc(-c4cc5ccc6ccccc6c5c5ccccc45)ccc3c2)cc1
InChIInChI=1S/4C41H25N.C31H19N/c1-42-34-22-20-28(21-23-34)35-9-4-5-10-36(35)31-17-15-30-25-32(18-16-29(30)24-31)40-26-33-19-14-27-8-2-3-11-37(27)41(33)39-13-7-6-12-38(39)40;42-26-27-6-5-8-31(22-27)28-12-14-29(15-13-28)32-17-18-34-24-35(20-19-33(34)23-32)40-25-36-21-16-30-7-1-2-9-37(30)41(36)39-11-4-3-10-38(39)40;42-26-27-12-14-28(15-13-27)30-7-5-8-31(22-30)32-17-18-34-24-35(20-19-33(34)23-32)40-25-36-21-16-29-6-1-2-9-37(29)41(36)39-11-4-3-10-38(39)40;42-26-27-9-11-28(12-10-27)29-13-15-30(16-14-29)32-18-19-34-24-35(21-20-33(34)23-32)40-25-36-22-17-31-5-1-2-6-37(31)41(36)39-8-4-3-7-38(39)40;32-20-21-14-16-23(17-15-21)30-19-24-18-29(22-8-2-1-3-9-22)25-10-4-6-12-27(25)31(24)28-13-7-5-11-26(28)30/h2-26H;3*1-25H;1-19H
InChIKeyLZGKNQIFURQYQJ-UHFFFAOYSA-N
XLogP53.72
TPSA99.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms200
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002532.13
LogP ≤ 553.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile with MolForge

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Related Compounds

3-[2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile
CID 89027034
2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile
CID 159263479
5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran;5-[3-(3-isocyanophenyl)phenanthren-9-yl]naphtho[2,1-b][1]benzofuran;3-naphtho[2,1-b][1]benzofuran-9-ylbenzonitrile;4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile;3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile;4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)benzonitrile;3-[4-(6-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)phenyl]benzonitrile
CID 158855740
2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;3-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160767645
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159635225
5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene
CID 59390472
bis(2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile);3-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;2-[4-[8-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160509145
4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile
CID 89027091
9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 159768381
bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene
CID 160704726
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;2-[4-[5-(2-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162237222

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile?
The IUPAC name of 3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile (CID 159499972) is 3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile.
What is the SMILES notation for 3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile?
The canonical SMILES for 3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile is N#Cc1ccc(-c2cc3cc(-c4ccccc4)c4ccccc4c3c3ccccc23)cc1.N#Cc1ccc(-c2ccc(-c3ccc4cc(-c5cc6ccc7ccccc7c6c6ccccc56)ccc4c3)cc2)cc1.N#Cc1ccc(-c2cccc(-c3ccc4cc(-c5cc6ccc7ccccc7c6c6ccccc56)ccc4c3)c2)cc1.N#Cc1cccc(-c2ccc(-c3ccc4cc(-c5cc6ccc7ccccc7c6c6ccccc56)ccc4c3)cc2)c1.[C-]#[N+]c1ccc(-c2ccccc2-c2ccc3cc(-c4cc5ccc6ccccc6c5c5ccccc45)ccc3c2)cc1.
What is the InChIKey of 3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile?
The InChIKey is LZGKNQIFURQYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C41H25N.C31H19N/c1-42-34-22-20-28(21-23-34)35-9-4-5-10-36(35)31-17-15-30-25-32(18-16-29(30)24-31)40-26-33-19-14-27-8-2-3-11-37(27)41(33)39-13-7-6-12-38(39)40;42-26-27-6-5-8-31(22-27)28-12-14-29(15-13-28)32-17-18-34-24-35(20-19-33(34)23-32)40-25-36-21-16-30-7-1-2-9-37(30)41(36)39-11-4-3-10-38(39)40;42-26-27-12-14-28(15-13-27)30-7-5-8-31(22-30)32-17-18-34-24-35(20-19-33(34)23-32)40-25-36-21-16-29-6-1-2-9-37(29)41(36)39-11-4-3-10-38(39)40;42-26-27-9-11-28(12-10-27)29-13-15-30(16-14-29)32-18-19-34-24-35(21-20-33(34)23-32)40-25-36-22-17-31-5-1-2-6-37(31)41(36)39-8-4-3-7-38(39)40;32-20-21-14-16-23(17-15-21)30-19-24-18-29(22-8-2-1-3-9-22)25-10-4-6-12-27(25)31(24)28-13-7-5-11-26(28)30/h2-26H;3*1-25H;1-19H.
What are the key properties of 3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile?
3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile has a molecular weight of 2532.13 g/mol, XLogP of 53.72, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile is sourced from PubChem (CID 159499972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).