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

C50H38N4O — CID 163748784

IUPAC2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole
SMILESCc1ccc(-c2cccc3c2N(C)CN3c2cccc(Oc3ccc4c5ccccc5n(-c5cc(-c6ccccc6-c6ccccc6)ccn5)c4c3)c2)cc1
InChIInChI=1S/C50H38N4O/c1-34-22-24-36(25-23-34)43-19-11-21-47-50(43)52(2)33-53(47)38-14-10-15-39(31-38)55-40-26-27-45-44-18-8-9-20-46(44)54(48(45)32-40)49-30-37(28-29-51-49)42-17-7-6-16-41(42)35-12-4-3-5-13-35/h3-32H,33H2,1-2H3
InChIKeyGOJCLYSORRSHNU-UHFFFAOYSA-N
MW710.88 g/mol
LogP12.83
Rot. Bonds7

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

2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole (PubChem CID 163748784) has the molecular formula C50H38N4O and a molecular weight of 710.88 g/mol. Its IUPAC name is 2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole
PubChem CID163748784
Molecular FormulaC50H38N4O
Molecular Weight710.88 g/mol
Exact Mass710.30
IUPAC Name2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole
SMILESCc1ccc(-c2cccc3c2N(C)CN3c2cccc(Oc3ccc4c5ccccc5n(-c5cc(-c6ccccc6-c6ccccc6)ccn5)c4c3)c2)cc1
InChIInChI=1S/C50H38N4O/c1-34-22-24-36(25-23-34)43-19-11-21-47-50(43)52(2)33-53(47)38-14-10-15-39(31-38)55-40-26-27-45-44-18-8-9-20-46(44)54(48(45)32-40)49-30-37(28-29-51-49)42-17-7-6-16-41(42)35-12-4-3-5-13-35/h3-32H,33H2,1-2H3
InChIKeyGOJCLYSORRSHNU-UHFFFAOYSA-N
XLogP12.83
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 512.83
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
2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
CID 167401547
9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole
CID 166007105
9-[4-(2,4-ditert-butylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-dimethylphenyl)-6-(2-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 163448803
2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
CID 167401803
3-[3-[3-[2,6-bis(2-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-7-phenylindolo[2,3-b]carbazole
CID 170677073
2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole
CID 162704513
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 169288868
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-(2-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-1-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 169065936
2-[3-[3-[3,5-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]-4-propan-2-ylcarbazole
CID 163621083
1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole
CID 164731668

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole?
The IUPAC name of 2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole (CID 163748784) is 2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole?
The canonical SMILES for 2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole is Cc1ccc(-c2cccc3c2N(C)CN3c2cccc(Oc3ccc4c5ccccc5n(-c5cc(-c6ccccc6-c6ccccc6)ccn5)c4c3)c2)cc1.
What is the InChIKey of 2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole?
The InChIKey is GOJCLYSORRSHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N4O/c1-34-22-24-36(25-23-34)43-19-11-21-47-50(43)52(2)33-53(47)38-14-10-15-39(31-38)55-40-26-27-45-44-18-8-9-20-46(44)54(48(45)32-40)49-30-37(28-29-51-49)42-17-7-6-16-41(42)35-12-4-3-5-13-35/h3-32H,33H2,1-2H3.
What are the key properties of 2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole?
2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole has a molecular weight of 710.88 g/mol, XLogP of 12.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 163748784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).