9-phenyl-2,4,5,7-tetrakis(1-phenylbenzimidazol-2-yl)carbazole

C70H45N9 — CID 21111884

IUPAC9-phenyl-2,4,5,7-tetrakis(1-phenylbenzimidazol-2-yl)carbazole
SMILESc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)c4c5c(-c6nc7ccccc7n6-c6ccccc6)cc(-c6nc7ccccc7n6-c6ccccc6)cc5n(-c5ccccc5)c4c3)nc3ccccc32)cc1
InChIInChI=1S/C70H45N9/c1-6-24-48(25-7-1)75-63-44-46(67-71-55-34-16-20-38-59(55)76(67)49-26-8-2-9-27-49)42-53(69-73-57-36-18-22-40-61(57)78(69)51-30-12-4-13-31-51)65(63)66-54(70-74-58-37-19-23-41-62(58)79(70)52-32-14-5-15-33-52)43-47(45-64(66)75)68-72-56-35-17-21-39-60(56)77(68)50-28-10-3-11-29-50/h1-45H
InChIKeyWIVOBOHOJVSATB-UHFFFAOYSA-N
MW1012.19 g/mol
LogP16.81
Rot. Bonds9

About 9-phenyl-2,4,5,7-tetrakis(1-phenylbenzimidazol-2-yl)carbazole

9-phenyl-2,4,5,7-tetrakis(1-phenylbenzimidazol-2-yl)carbazole (PubChem CID 21111884) has the molecular formula C70H45N9 and a molecular weight of 1012.19 g/mol. Its IUPAC name is 9-phenyl-2,4,5,7-tetrakis(1-phenylbenzimidazol-2-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-2,4,5,7-tetrakis(1-phenylbenzimidazol-2-yl)carbazole
PubChem CID21111884
Molecular FormulaC70H45N9
Molecular Weight1012.19 g/mol
Exact Mass1011.38
IUPAC Name9-phenyl-2,4,5,7-tetrakis(1-phenylbenzimidazol-2-yl)carbazole
SMILESc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)c4c5c(-c6nc7ccccc7n6-c6ccccc6)cc(-c6nc7ccccc7n6-c6ccccc6)cc5n(-c5ccccc5)c4c3)nc3ccccc32)cc1
InChIInChI=1S/C70H45N9/c1-6-24-48(25-7-1)75-63-44-46(67-71-55-34-16-20-38-59(55)76(67)49-26-8-2-9-27-49)42-53(69-73-57-36-18-22-40-61(57)78(69)51-30-12-4-13-31-51)65(63)66-54(70-74-58-37-19-23-41-62(58)79(70)52-32-14-5-15-33-52)43-47(45-64(66)75)68-72-56-35-17-21-39-60(56)77(68)50-28-10-3-11-29-50/h1-45H
InChIKeyWIVOBOHOJVSATB-UHFFFAOYSA-N
XLogP16.81
TPSA76.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001012.19
LogP ≤ 516.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2,4,5,7-tetrakis(1-phenylbenzimidazol-2-yl)carbazole?
The IUPAC name of 9-phenyl-2,4,5,7-tetrakis(1-phenylbenzimidazol-2-yl)carbazole (CID 21111884) is 9-phenyl-2,4,5,7-tetrakis(1-phenylbenzimidazol-2-yl)carbazole.
What is the SMILES notation for 9-phenyl-2,4,5,7-tetrakis(1-phenylbenzimidazol-2-yl)carbazole?
The canonical SMILES for 9-phenyl-2,4,5,7-tetrakis(1-phenylbenzimidazol-2-yl)carbazole is c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)c4c5c(-c6nc7ccccc7n6-c6ccccc6)cc(-c6nc7ccccc7n6-c6ccccc6)cc5n(-c5ccccc5)c4c3)nc3ccccc32)cc1.
What is the InChIKey of 9-phenyl-2,4,5,7-tetrakis(1-phenylbenzimidazol-2-yl)carbazole?
The InChIKey is WIVOBOHOJVSATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45N9/c1-6-24-48(25-7-1)75-63-44-46(67-71-55-34-16-20-38-59(55)76(67)49-26-8-2-9-27-49)42-53(69-73-57-36-18-22-40-61(57)78(69)51-30-12-4-13-31-51)65(63)66-54(70-74-58-37-19-23-41-62(58)79(70)52-32-14-5-15-33-52)43-47(45-64(66)75)68-72-56-35-17-21-39-60(56)77(68)50-28-10-3-11-29-50/h1-45H.
What are the key properties of 9-phenyl-2,4,5,7-tetrakis(1-phenylbenzimidazol-2-yl)carbazole?
9-phenyl-2,4,5,7-tetrakis(1-phenylbenzimidazol-2-yl)carbazole has a molecular weight of 1012.19 g/mol, XLogP of 16.81, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2,4,5,7-tetrakis(1-phenylbenzimidazol-2-yl)carbazole is sourced from PubChem (CID 21111884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).