5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole

C56H45N7 — CID 140889854

IUPAC5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1nc2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc7ccccc7n6C)c5cc43)nc2n1-c1ccccc1
InChIInChI=1S/C56H45N7/c1-34(2)41-30-37(36-18-8-6-9-19-36)31-42(35(3)4)53(41)55-57-46-28-29-52(59-54(46)61(55)38-20-10-7-11-21-38)62-47-25-15-12-22-39(47)43-32-44-40-23-13-16-26-48(40)63(51(44)33-50(43)62)56-58-45-24-14-17-27-49(45)60(56)5/h6-35H,1-5H3
InChIKeyCIQZUWMXOHIKCT-UHFFFAOYSA-N
MW816.03 g/mol
LogP14.08
Rot. Bonds7

About 5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole

5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole (PubChem CID 140889854) has the molecular formula C56H45N7 and a molecular weight of 816.03 g/mol. Its IUPAC name is 5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole
PubChem CID140889854
Molecular FormulaC56H45N7
Molecular Weight816.03 g/mol
Exact Mass815.37
IUPAC Name5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1nc2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc7ccccc7n6C)c5cc43)nc2n1-c1ccccc1
InChIInChI=1S/C56H45N7/c1-34(2)41-30-37(36-18-8-6-9-19-36)31-42(35(3)4)53(41)55-57-46-28-29-52(59-54(46)61(55)38-20-10-7-11-21-38)62-47-25-15-12-22-39(47)43-32-44-40-23-13-16-26-48(40)63(51(44)33-50(43)62)56-58-45-24-14-17-27-49(45)60(56)5/h6-35H,1-5H3
InChIKeyCIQZUWMXOHIKCT-UHFFFAOYSA-N
XLogP14.08
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.03
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole
CID 140889806
5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole
CID 118504605
6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 70651023
7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240607
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356
7-(4-phenylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)indolo[2,3-b]carbazole
CID 129254521
5-phenyl-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 58570053
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
11-(1-naphthalen-2-ylbenzimidazol-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118487877
6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508649
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 166019341
2-[4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;1-methyl-2-[4-[7-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163475624

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole?
The IUPAC name of 5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole (CID 140889854) is 5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole.
What is the SMILES notation for 5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole?
The canonical SMILES for 5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-c1nc2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc7ccccc7n6C)c5cc43)nc2n1-c1ccccc1.
What is the InChIKey of 5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole?
The InChIKey is CIQZUWMXOHIKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45N7/c1-34(2)41-30-37(36-18-8-6-9-19-36)31-42(35(3)4)53(41)55-57-46-28-29-52(59-54(46)61(55)38-20-10-7-11-21-38)62-47-25-15-12-22-39(47)43-32-44-40-23-13-16-26-48(40)63(51(44)33-50(43)62)56-58-45-24-14-17-27-49(45)60(56)5/h6-35H,1-5H3.
What are the key properties of 5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole?
5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole has a molecular weight of 816.03 g/mol, XLogP of 14.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylbenzimidazol-2-yl)-7-[3-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-5-yl]indolo[2,3-b]carbazole is sourced from PubChem (CID 140889854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).