9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

C56H47N5O — CID 176782592

IUPAC9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
SMILESCc1cc(C)c(N2CN(c3cccc(Oc4cc(-c5nc6ccccc6n5-c5c(C)cc(C)cc5C)cc5c6ccccc6n(-c6ccccc6)c45)c3)c3ccccc32)c(C)c1
InChIInChI=1S/C56H47N5O/c1-35-27-37(3)53(38(4)28-35)59-34-58(50-25-14-15-26-51(50)59)43-19-16-20-44(33-43)62-52-32-41(31-46-45-21-10-12-23-48(45)60(55(46)52)42-17-8-7-9-18-42)56-57-47-22-11-13-24-49(47)61(56)54-39(5)29-36(2)30-40(54)6/h7-33H,34H2,1-6H3
InChIKeyQUHMKDUQICHFFB-UHFFFAOYSA-N
MW806.03 g/mol
LogP14.68
Rot. Bonds7

About 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 176782592) has the molecular formula C56H47N5O and a molecular weight of 806.03 g/mol. Its IUPAC name is 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
PubChem CID176782592
Molecular FormulaC56H47N5O
Molecular Weight806.03 g/mol
Exact Mass805.38
IUPAC Name9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
SMILESCc1cc(C)c(N2CN(c3cccc(Oc4cc(-c5nc6ccccc6n5-c5c(C)cc(C)cc5C)cc5c6ccccc6n(-c6ccccc6)c45)c3)c3ccccc32)c(C)c1
InChIInChI=1S/C56H47N5O/c1-35-27-37(3)53(38(4)28-35)59-34-58(50-25-14-15-26-51(50)59)43-19-16-20-44(33-43)62-52-32-41(31-46-45-21-10-12-23-48(45)60(55(46)52)42-17-8-7-9-18-42)56-57-47-22-11-13-24-49(47)61(56)54-39(5)29-36(2)30-40(54)6/h7-33H,34H2,1-6H3
InChIKeyQUHMKDUQICHFFB-UHFFFAOYSA-N
XLogP14.68
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.03
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-phenyl-1-[3-(4-phenylpyrazol-1-yl)phenoxy]-3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]carbazole
CID 176783475
5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole
CID 176782965
27-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-25-thia-3,10,12-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(28),2,4,6,8,11(16),12,14,17,19,21,23,26-tridecaene
CID 176782376
9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 140958316
9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118448479
9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole
CID 166007105
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
CID 165154915
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
3-[3-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 126493490
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 153490598
11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole
CID 90324561

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?
The IUPAC name of 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 176782592) is 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.
What is the SMILES notation for 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?
The canonical SMILES for 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is Cc1cc(C)c(N2CN(c3cccc(Oc4cc(-c5nc6ccccc6n5-c5c(C)cc(C)cc5C)cc5c6ccccc6n(-c6ccccc6)c45)c3)c3ccccc32)c(C)c1.
What is the InChIKey of 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?
The InChIKey is QUHMKDUQICHFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47N5O/c1-35-27-37(3)53(38(4)28-35)59-34-58(50-25-14-15-26-51(50)59)43-19-16-20-44(33-43)62-52-32-41(31-46-45-21-10-12-23-48(45)60(55(46)52)42-17-8-7-9-18-42)56-57-47-22-11-13-24-49(47)61(56)54-39(5)29-36(2)30-40(54)6/h7-33H,34H2,1-6H3.
What are the key properties of 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?
9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 806.03 g/mol, XLogP of 14.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 176782592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).