2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole

C32H25N3O — CID 165154915

IUPAC2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
SMILESCN1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)c2ccccc21
InChIInChI=1S/C32H25N3O/c1-33-22-34(31-17-8-7-16-30(31)33)24-12-9-13-25(20-24)36-26-18-19-28-27-14-5-6-15-29(27)35(32(28)21-26)23-10-3-2-4-11-23/h2-21H,22H2,1H3
InChIKeyPFGRVIPDMLHDGA-UHFFFAOYSA-N
MW467.57 g/mol
LogP8.12
Rot. Bonds4

About 2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole

2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole (PubChem CID 165154915) has the molecular formula C32H25N3O and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
PubChem CID165154915
Molecular FormulaC32H25N3O
Molecular Weight467.57 g/mol
Exact Mass467.20
IUPAC Name2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
SMILESCN1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)c2ccccc21
InChIInChI=1S/C32H25N3O/c1-33-22-34(31-17-8-7-16-30(31)33)24-12-9-13-25(20-24)36-26-18-19-28-27-14-5-6-15-29(27)35(32(28)21-26)23-10-3-2-4-11-23/h2-21H,22H2,1H3
InChIKeyPFGRVIPDMLHDGA-UHFFFAOYSA-N
XLogP8.12
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 169289039
9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 162476216
2-[3-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606525
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(dideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 176635688
9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155622877
10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine
CID 169289081
9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 167401517
1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole
CID 140729745
4-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-3-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene
CID 176735516
2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
CID 167401547
9-[3-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]phenyl]pyrido[2,3-b]indole
CID 168848406

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole?
The IUPAC name of 2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole (CID 165154915) is 2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole.
What is the SMILES notation for 2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole?
The canonical SMILES for 2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole is CN1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)c2ccccc21.
What is the InChIKey of 2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole?
The InChIKey is PFGRVIPDMLHDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O/c1-33-22-34(31-17-8-7-16-30(31)33)24-12-9-13-25(20-24)36-26-18-19-28-27-14-5-6-15-29(27)35(32(28)21-26)23-10-3-2-4-11-23/h2-21H,22H2,1H3.
What are the key properties of 2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole?
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole has a molecular weight of 467.57 g/mol, XLogP of 8.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole is sourced from PubChem (CID 165154915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).