11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine

C50H32N4 — CID 138661347

IUPAC11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine
SMILESc1ccc(-c2nc3c(ccc4c5cc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)ccc5n(-c5ccccc5)c43)c3ccccc23)cc1
InChIInChI=1S/C50H32N4/c1-4-14-34(15-5-1)47-40-21-11-10-20-39(40)41-29-30-42-43-32-36(28-31-45(43)53(49(42)48(41)52-47)37-16-6-2-7-17-37)33-24-26-35(27-25-33)50-51-44-22-12-13-23-46(44)54(50)38-18-8-3-9-19-38/h1-32H
InChIKeyCWJHZUHLOXITMG-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.82
Rot. Bonds5

About 11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine

11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine (PubChem CID 138661347) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine.

Molecular Properties

Compound Name11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine
PubChem CID138661347
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine
SMILESc1ccc(-c2nc3c(ccc4c5cc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)ccc5n(-c5ccccc5)c43)c3ccccc23)cc1
InChIInChI=1S/C50H32N4/c1-4-14-34(15-5-1)47-40-21-11-10-20-39(40)41-29-30-42-43-32-36(28-31-45(43)53(49(42)48(41)52-47)37-16-6-2-7-17-37)33-24-26-35(27-25-33)50-51-44-22-12-13-23-46(44)54(50)38-18-8-3-9-19-38/h1-32H
InChIKeyCWJHZUHLOXITMG-UHFFFAOYSA-N
XLogP12.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130
11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole
CID 90324561
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
8-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine
CID 138661649
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785
5-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-1,2-diphenylbenzimidazole
CID 130269142
11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500778
12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole
CID 90324779
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
9,21-diphenyl-18-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
CID 166584390

Frequently Asked Questions

What is the IUPAC name of 11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine?
The IUPAC name of 11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine (CID 138661347) is 11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine.
What is the SMILES notation for 11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine?
The canonical SMILES for 11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine is c1ccc(-c2nc3c(ccc4c5cc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)ccc5n(-c5ccccc5)c43)c3ccccc23)cc1.
What is the InChIKey of 11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine?
The InChIKey is CWJHZUHLOXITMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-4-14-34(15-5-1)47-40-21-11-10-20-39(40)41-29-30-42-43-32-36(28-31-45(43)53(49(42)48(41)52-47)37-16-6-2-7-17-37)33-24-26-35(27-25-33)50-51-44-22-12-13-23-46(44)54(50)38-18-8-3-9-19-38/h1-32H.
What are the key properties of 11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine?
11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine has a molecular weight of 688.83 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine is sourced from PubChem (CID 138661347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).