2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole

C42H30N4O — CID 167401547

IUPAC2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
SMILESc1ccc(-c2ccnc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7ccccc7)c7ccccc76)c5)cc43)c2)cc1
InChIInChI=1S/C42H30N4O/c1-3-12-30(13-4-1)31-24-25-43-42(26-31)46-38-19-8-7-18-36(38)37-23-22-35(28-41(37)46)47-34-17-11-16-33(27-34)45-29-44(32-14-5-2-6-15-32)39-20-9-10-21-40(39)45/h1-28H,29H2
InChIKeyUFRHEIOWAKVFJM-UHFFFAOYSA-N
MW606.73 g/mol
LogP10.89
Rot. Bonds6

About 2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole

2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole (PubChem CID 167401547) has the molecular formula C42H30N4O and a molecular weight of 606.73 g/mol. Its IUPAC name is 2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
PubChem CID167401547
Molecular FormulaC42H30N4O
Molecular Weight606.73 g/mol
Exact Mass606.24
IUPAC Name2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
SMILESc1ccc(-c2ccnc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7ccccc7)c7ccccc76)c5)cc43)c2)cc1
InChIInChI=1S/C42H30N4O/c1-3-12-30(13-4-1)31-24-25-43-42(26-31)46-38-19-8-7-18-36(38)37-23-22-35(28-41(37)46)47-34-17-11-16-33(27-34)45-29-44(32-14-5-2-6-15-32)39-20-9-10-21-40(39)45/h1-28H,29H2
InChIKeyUFRHEIOWAKVFJM-UHFFFAOYSA-N
XLogP10.89
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.73
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 167401517
9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole
CID 166007105
2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole
CID 163748784
2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole
CID 167401965
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 153490598
2-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 155652686
2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1-diphenylethyl)-2-pyridinyl]-6-phenylcarbazole
CID 158433683
17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 162476049
9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 162476216
2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
CID 167401803
9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 163602316
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-2-pyridinyl]carbazole
CID 159074989

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole (CID 167401547) is 2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole is c1ccc(-c2ccnc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7ccccc7)c7ccccc76)c5)cc43)c2)cc1.
What is the InChIKey of 2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole?
The InChIKey is UFRHEIOWAKVFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4O/c1-3-12-30(13-4-1)31-24-25-43-42(26-31)46-38-19-8-7-18-36(38)37-23-22-35(28-41(37)46)47-34-17-11-16-33(27-34)45-29-44(32-14-5-2-6-15-32)39-20-9-10-21-40(39)45/h1-28H,29H2.
What are the key properties of 2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole?
2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole has a molecular weight of 606.73 g/mol, XLogP of 10.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 167401547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).