6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine

C120H76N8 — CID 162249363

IUPAC6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cc3)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)cc3)nc3ccccc32)cc1.c1ccc2c(c1)ccc1ccc(-c3cc(-c4nc5ccccc5c5c4ccc4ccccc45)ccn3)cc12
InChIInChI=1S/2C42H27N3.C36H22N2/c1-2-11-33(12-3-1)45-39-17-9-8-16-38(39)44-42(45)32-24-20-29(21-25-32)28-18-22-31(23-19-28)41-36-27-26-30-10-4-5-13-34(30)40(36)35-14-6-7-15-37(35)43-41;1-2-11-32(12-3-1)42-44-38-16-8-9-17-39(38)45(42)33-25-22-29(23-26-33)28-18-20-31(21-19-28)41-36-27-24-30-10-4-5-13-34(30)40(36)35-14-6-7-15-37(35)43-41;1-3-9-28-23(7-1)13-14-25-15-16-26(21-32(25)28)34-22-27(19-20-37-34)36-31-18-17-24-8-2-4-10-29(24)35(31)30-11-5-6-12-33(30)38-36/h2*1-27H;1-22H
InChIKeyZXTWOMADRKDMFV-UHFFFAOYSA-N
MW1629.98 g/mol
LogP31.34
Rot. Bonds10

About 6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine

6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine (PubChem CID 162249363) has the molecular formula C120H76N8 and a molecular weight of 1629.98 g/mol. Its IUPAC name is 6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine
PubChem CID162249363
Molecular FormulaC120H76N8
Molecular Weight1629.98 g/mol
Exact Mass1628.62
IUPAC Name6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cc3)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)cc3)nc3ccccc32)cc1.c1ccc2c(c1)ccc1ccc(-c3cc(-c4nc5ccccc5c5c4ccc4ccccc45)ccn3)cc12
InChIInChI=1S/2C42H27N3.C36H22N2/c1-2-11-33(12-3-1)45-39-17-9-8-16-38(39)44-42(45)32-24-20-29(21-25-32)28-18-22-31(23-19-28)41-36-27-26-30-10-4-5-13-34(30)40(36)35-14-6-7-15-37(35)43-41;1-2-11-32(12-3-1)42-44-38-16-8-9-17-39(38)45(42)33-25-22-29(23-26-33)28-18-20-31(21-19-28)41-36-27-24-30-10-4-5-13-34(30)40(36)35-14-6-7-15-37(35)43-41;1-3-9-28-23(7-1)13-14-25-15-16-26(21-32(25)28)34-22-27(19-20-37-34)36-31-18-17-24-8-2-4-10-29(24)35(31)30-11-5-6-12-33(30)38-36/h2*1-27H;1-22H
InChIKeyZXTWOMADRKDMFV-UHFFFAOYSA-N
XLogP31.34
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001629.98
LogP ≤ 531.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole
CID 58526346
6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine
CID 158944758
2-[4-(12-phenanthren-3-ylbenzo[a]anthracen-7-yl)phenyl]-1-phenylbenzimidazole
CID 59629559
2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole
CID 147440620
N,N-diphenyl-3-[10-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-6-yl]aniline
CID 171054618
1-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]-2-phenylbenzimidazole
CID 167410373
1-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-2-phenylbenzimidazole
CID 167411818
1-[4-[4-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)naphthalen-1-yl]phenyl]-2-phenylbenzimidazole
CID 167411018
14-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123139
6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665500
2-[4-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)phenyl]-1-phenylbenzimidazole
CID 167410699
3-phenyl-14-[3-(2-phenylbenzimidazol-1-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123588

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine?
The IUPAC name of 6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine (CID 162249363) is 6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine?
The canonical SMILES for 6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine is c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cc3)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)cc3)nc3ccccc32)cc1.c1ccc2c(c1)ccc1ccc(-c3cc(-c4nc5ccccc5c5c4ccc4ccccc45)ccn3)cc12.
What is the InChIKey of 6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine?
The InChIKey is ZXTWOMADRKDMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H27N3.C36H22N2/c1-2-11-33(12-3-1)45-39-17-9-8-16-38(39)44-42(45)32-24-20-29(21-25-32)28-18-22-31(23-19-28)41-36-27-26-30-10-4-5-13-34(30)40(36)35-14-6-7-15-37(35)43-41;1-2-11-32(12-3-1)42-44-38-16-8-9-17-39(38)45(42)33-25-22-29(23-26-33)28-18-20-31(21-19-28)41-36-27-24-30-10-4-5-13-34(30)40(36)35-14-6-7-15-37(35)43-41;1-3-9-28-23(7-1)13-14-25-15-16-26(21-32(25)28)34-22-27(19-20-37-34)36-31-18-17-24-8-2-4-10-29(24)35(31)30-11-5-6-12-33(30)38-36/h2*1-27H;1-22H.
What are the key properties of 6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine?
6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine has a molecular weight of 1629.98 g/mol, XLogP of 31.34, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 162249363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).