12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole

C52H33N5 — CID 58570101

IUPAC12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7cccc(-n8c9ccccc9c9ccccc98)n7)n6)c5c43)c2)cc1
InChIInChI=1S/C52H33N5/c1-2-15-34(16-3-1)35-17-12-18-36(33-35)55-45-25-8-6-21-39(45)41-31-32-42-40-22-7-11-28-48(40)57(52(42)51(41)55)50-30-14-24-44(54-50)43-23-13-29-49(53-43)56-46-26-9-4-19-37(46)38-20-5-10-27-47(38)56/h1-33H
InChIKeyXVESVACRJYHPLZ-UHFFFAOYSA-N
MW727.87 g/mol
LogP13.10
Rot. Bonds5

About 12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole

12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole (PubChem CID 58570101) has the molecular formula C52H33N5 and a molecular weight of 727.87 g/mol. Its IUPAC name is 12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
PubChem CID58570101
Molecular FormulaC52H33N5
Molecular Weight727.87 g/mol
Exact Mass727.27
IUPAC Name12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7cccc(-n8c9ccccc9c9ccccc98)n7)n6)c5c43)c2)cc1
InChIInChI=1S/C52H33N5/c1-2-15-34(16-3-1)35-17-12-18-36(33-35)55-45-25-8-6-21-39(45)41-31-32-42-40-22-7-11-28-48(40)57(52(42)51(41)55)50-30-14-24-44(54-50)43-23-13-29-49(53-43)56-46-26-9-4-19-37(46)38-20-5-10-27-47(38)56/h1-33H
InChIKeyXVESVACRJYHPLZ-UHFFFAOYSA-N
XLogP13.10
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole
CID 170268381
11-phenyl-12-[6-(4-phenylphenyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 134240187
5-phenyl-12-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[4-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[3-[12-(3-phenylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole;12-phenyl-5-[3-[5-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-12-yl]phenyl]indolo[3,2-c]carbazole;5-(6-phenyl-2-pyridinyl)-12-[3-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
CID 160727594
12-(6-carbazol-9-yl-2-pyridinyl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 118041124
12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 58038308
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
11-(3-phenylphenyl)-12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole
CID 121385294
5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole
CID 58570039
11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole
CID 144568618
12-[6-[3-(2,3-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
CID 134240188
11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5-(3-carbazol-9-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;5-(4-carbazol-9-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;11-phenyl-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole
CID 160763291
5,11-bis[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole;12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(6-carbazol-9-yl-2-pyridinyl)-11-phenylindolo[2,3-a]carbazole;11-(3-dibenzothiophen-2-ylphenyl)-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole
CID 160790667

Frequently Asked Questions

What is the IUPAC name of 12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole (CID 58570101) is 12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7cccc(-n8c9ccccc9c9ccccc98)n7)n6)c5c43)c2)cc1.
What is the InChIKey of 12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole?
The InChIKey is XVESVACRJYHPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5/c1-2-15-34(16-3-1)35-17-12-18-36(33-35)55-45-25-8-6-21-39(45)41-31-32-42-40-22-7-11-28-48(40)57(52(42)51(41)55)50-30-14-24-44(54-50)43-23-13-29-49(53-43)56-46-26-9-4-19-37(46)38-20-5-10-27-47(38)56/h1-33H.
What are the key properties of 12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole?
12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 727.87 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 58570101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).