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

C47H31N3 — CID 170268381

IUPAC11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)n7)c6c54)c3)c2)cc1
InChIInChI=1S/C47H31N3/c1-3-14-32(15-4-1)34-18-11-19-35(30-34)36-20-12-21-37(31-36)49-43-25-9-7-22-38(43)40-28-29-41-39-23-8-10-26-44(39)50(47(41)46(40)49)45-27-13-24-42(48-45)33-16-5-2-6-17-33/h1-31H
InChIKeyWAHKMOZRGYVEMH-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.28
Rot. Bonds5

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

11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole (PubChem CID 170268381) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole
PubChem CID170268381
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)n7)c6c54)c3)c2)cc1
InChIInChI=1S/C47H31N3/c1-3-14-32(15-4-1)34-18-11-19-35(30-34)36-20-12-21-37(31-36)49-43-25-9-7-22-38(43)40-28-29-41-39-23-8-10-26-44(39)50(47(41)46(40)49)45-27-13-24-42(48-45)33-16-5-2-6-17-33/h1-31H
InChIKeyWAHKMOZRGYVEMH-UHFFFAOYSA-N
XLogP12.28
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 58570101
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
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
11-(3-phenylphenyl)-12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole
CID 121385294
12-[6-[3-(2,3-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
CID 134240188
12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 170268448
9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole
CID 158139061
5,12-bis(4-phenylphenyl)indolo[3,2-c]carbazole;12-phenyl-5-(4-phenylphenyl)indolo[3,2-c]carbazole;5-(4-phenylphenyl)-12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazole
CID 158271663
5-(3-carbazol-9-ylphenyl)-11-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[3-[3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[3-[14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]phenyl]indolo[3,2-b]carbazole
CID 159505350
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
5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole
CID 58570039

Frequently Asked Questions

What is the IUPAC name of 11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole?
The IUPAC name of 11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole (CID 170268381) is 11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole?
The canonical SMILES for 11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)n7)c6c54)c3)c2)cc1.
What is the InChIKey of 11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole?
The InChIKey is WAHKMOZRGYVEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-3-14-32(15-4-1)34-18-11-19-35(30-34)36-20-12-21-37(31-36)49-43-25-9-7-22-38(43)40-28-29-41-39-23-8-10-26-44(39)50(47(41)46(40)49)45-27-13-24-42(48-45)33-16-5-2-6-17-33/h1-31H.
What are the key properties of 11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole?
11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole has a molecular weight of 637.79 g/mol, XLogP of 12.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 170268381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).