2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole

C48H31N3 — CID 147440620

IUPAC2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole
SMILESc1ccc(-c2ccnc(-c3cc4cc(-c5ccc(-n6c(-c7ccccc7)nc7ccccc76)cc5)c5ccccc5c4c4ccccc34)c2)cc1
InChIInChI=1S/C48H31N3/c1-3-13-32(14-4-1)35-27-28-49-45(31-35)43-30-36-29-42(38-17-7-9-19-40(38)47(36)41-20-10-8-18-39(41)43)33-23-25-37(26-24-33)51-46-22-12-11-21-44(46)50-48(51)34-15-5-2-6-16-34/h1-31H
InChIKeyDWDMDMSNMOLQGZ-UHFFFAOYSA-N
MW649.80 g/mol
LogP12.55
Rot. Bonds5

About 2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole

2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole (PubChem CID 147440620) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole
PubChem CID147440620
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole
SMILESc1ccc(-c2ccnc(-c3cc4cc(-c5ccc(-n6c(-c7ccccc7)nc7ccccc76)cc5)c5ccccc5c4c4ccccc34)c2)cc1
InChIInChI=1S/C48H31N3/c1-3-13-32(14-4-1)35-27-28-49-45(31-35)43-30-36-29-42(38-17-7-9-19-40(38)47(36)41-20-10-8-18-39(41)43)33-23-25-37(26-24-33)51-46-22-12-11-21-44(46)50-48(51)34-15-5-2-6-16-34/h1-31H
InChIKeyDWDMDMSNMOLQGZ-UHFFFAOYSA-N
XLogP12.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]phenyl]-1-phenylbenzimidazole
CID 167412067
4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 70958726
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline
CID 70958763
3-phenyl-19-[4-(2-phenylbenzimidazol-1-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
CID 87414549
6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 155792535
2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole
CID 175392622
2-(1,2-diphenylbenzimidazol-5-yl)-4,6-diphenylbenzo[h]quinoline;4,6-diphenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]quinoline;4,6-diphenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline
CID 158321652
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
1-[4-(7,12-diphenylbenzo[a]anthracen-4-yl)phenyl]-2-phenylbenzimidazole
CID 88544845
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole?
The IUPAC name of 2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole (CID 147440620) is 2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole.
What is the SMILES notation for 2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole?
The canonical SMILES for 2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole is c1ccc(-c2ccnc(-c3cc4cc(-c5ccc(-n6c(-c7ccccc7)nc7ccccc76)cc5)c5ccccc5c4c4ccccc34)c2)cc1.
What is the InChIKey of 2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole?
The InChIKey is DWDMDMSNMOLQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-3-13-32(14-4-1)35-27-28-49-45(31-35)43-30-36-29-42(38-17-7-9-19-40(38)47(36)41-20-10-8-18-39(41)43)33-23-25-37(26-24-33)51-46-22-12-11-21-44(46)50-48(51)34-15-5-2-6-16-34/h1-31H.
What are the key properties of 2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole?
2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole has a molecular weight of 649.80 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole is sourced from PubChem (CID 147440620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).