9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole

C31H21N3 — CID 154594943

IUPAC9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole
SMILES[c-]1n(-c2ccccc2)c2ccccc2[n+]1-c1cccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C31H21N3/c1-3-12-23(13-4-1)32-22-33(29-20-10-9-19-28(29)32)30-21-11-17-26-25-16-7-8-18-27(25)34(31(26)30)24-14-5-2-6-15-24/h1-21H
InChIKeyJRLGGPARXSYNIL-UHFFFAOYSA-N
MW435.53 g/mol
LogP6.80
Rot. Bonds3

About 9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole

9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole (PubChem CID 154594943) has the molecular formula C31H21N3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole
PubChem CID154594943
Molecular FormulaC31H21N3
Molecular Weight435.53 g/mol
Exact Mass435.17
IUPAC Name9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole
SMILES[c-]1n(-c2ccccc2)c2ccccc2[n+]1-c1cccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C31H21N3/c1-3-12-23(13-4-1)32-22-33(29-20-10-9-19-28(29)32)30-21-11-17-26-25-16-7-8-18-27(25)34(31(26)30)24-14-5-2-6-15-24/h1-21H
InChIKeyJRLGGPARXSYNIL-UHFFFAOYSA-N
XLogP6.80
TPSA13.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[4,3-b]indole;platinum
CID 162460904
21-[3-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]phenyl]-14,19,21-triaza-1-borapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,10,12,15(20),16,18-nonaene
CID 156623193
19-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaen-3-ol
CID 166562274
5,5-dimethyl-1-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]indeno[1,2-c]pyridine;platinum
CID 162460832
10-[3-[3-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
CID 165164158
5-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-2-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)-1-phenyl-3-pyridin-2-yl-1,3,2-benzodiazaborol-5-yl]-1-phenyl-1,3,2-benzodiazaborole
CID 156622922
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
CID 177094947
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-1-yl)carbazole
CID 177094929
1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole
CID 71127177
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole?
The IUPAC name of 9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole (CID 154594943) is 9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole.
What is the SMILES notation for 9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole?
The canonical SMILES for 9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole is [c-]1n(-c2ccccc2)c2ccccc2[n+]1-c1cccc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole?
The InChIKey is JRLGGPARXSYNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3/c1-3-12-23(13-4-1)32-22-33(29-20-10-9-19-28(29)32)30-21-11-17-26-25-16-7-8-18-27(25)34(31(26)30)24-14-5-2-6-15-24/h1-21H.
What are the key properties of 9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole?
9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole has a molecular weight of 435.53 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole is sourced from PubChem (CID 154594943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).