3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole

C50H37N5O — CID 162476242

IUPAC3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1cnc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7ccccc7)c7ccc(-c8ccccc8)cc76)c5)cc43)cc1n2C
InChIInChI=1S/C50H37N5O/c1-33-20-24-44-42(26-33)43-31-51-50(30-47(43)52(44)2)55-45-19-10-9-18-40(45)41-23-22-39(29-48(41)55)56-38-17-11-16-37(28-38)54-32-53(36-14-7-4-8-15-36)46-25-21-35(27-49(46)54)34-12-5-3-6-13-34/h3-31H,32H2,1-2H3
InChIKeyOHOTWBAMHKLLEE-UHFFFAOYSA-N
MW723.88 g/mol
LogP12.84
Rot. Bonds6

About 3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole

3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole (PubChem CID 162476242) has the molecular formula C50H37N5O and a molecular weight of 723.88 g/mol. Its IUPAC name is 3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole.

Molecular Properties

Compound Name3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole
PubChem CID162476242
Molecular FormulaC50H37N5O
Molecular Weight723.88 g/mol
Exact Mass723.30
IUPAC Name3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1cnc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7ccccc7)c7ccc(-c8ccccc8)cc76)c5)cc43)cc1n2C
InChIInChI=1S/C50H37N5O/c1-33-20-24-44-42(26-33)43-31-51-50(30-47(43)52(44)2)55-45-19-10-9-18-40(45)41-23-22-39(29-48(41)55)56-38-17-11-16-37(28-38)54-32-53(36-14-7-4-8-15-36)46-25-21-35(27-49(46)54)34-12-5-3-6-13-34/h3-31H,32H2,1-2H3
InChIKeyOHOTWBAMHKLLEE-UHFFFAOYSA-N
XLogP12.84
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.88
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole
CID 162475982
2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
CID 167401547
2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole
CID 164726988
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
3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole
CID 162476395
6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164727384
3-[2-[3-tert-butyl-5-[6-phenyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-5-phenylpyrido[4,3-b]indole
CID 162476055
3-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-6-phenylcarbazol-9-yl]-5-phenyl-[1]benzoborolo[3,2-c]pyridine
CID 162476407
9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 164726844
2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole
CID 163748784

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole?
The IUPAC name of 3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole (CID 162476242) is 3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole.
What is the SMILES notation for 3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole?
The canonical SMILES for 3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole is Cc1ccc2c(c1)c1cnc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7ccccc7)c7ccc(-c8ccccc8)cc76)c5)cc43)cc1n2C.
What is the InChIKey of 3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole?
The InChIKey is OHOTWBAMHKLLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N5O/c1-33-20-24-44-42(26-33)43-31-51-50(30-47(43)52(44)2)55-45-19-10-9-18-40(45)41-23-22-39(29-48(41)55)56-38-17-11-16-37(28-38)54-32-53(36-14-7-4-8-15-36)46-25-21-35(27-49(46)54)34-12-5-3-6-13-34/h3-31H,32H2,1-2H3.
What are the key properties of 3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole?
3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole has a molecular weight of 723.88 g/mol, XLogP of 12.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole is sourced from PubChem (CID 162476242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).