3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole

C48H31N3 — CID 134194444

IUPAC3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccc(-c3ccc(-n5c6ccccc6c6ccccc65)cc3)cc2n4-c2ccccc2)cc1
InChIInChI=1S/C48H31N3/c1-3-13-34(14-4-1)50-45-22-12-9-19-39(45)41-30-48-42(31-47(41)50)40-28-25-33(29-46(40)51(48)35-15-5-2-6-16-35)32-23-26-36(27-24-32)49-43-20-10-7-17-37(43)38-18-8-11-21-44(38)49/h1-31H
InChIKeyLBEAZOMFQYIECU-UHFFFAOYSA-N
MW649.80 g/mol
LogP12.64
Rot. Bonds4

About 3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole

3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole (PubChem CID 134194444) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
PubChem CID134194444
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccc(-c3ccc(-n5c6ccccc6c6ccccc65)cc3)cc2n4-c2ccccc2)cc1
InChIInChI=1S/C48H31N3/c1-3-13-34(14-4-1)50-45-22-12-9-19-39(45)41-30-48-42(31-47(41)50)40-28-25-33(29-46(40)51(48)35-15-5-2-6-16-35)32-23-26-36(27-24-32)49-43-20-10-7-17-37(43)38-18-8-11-21-44(38)49/h1-31H
InChIKeyLBEAZOMFQYIECU-UHFFFAOYSA-N
XLogP12.64
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727773
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole?
The IUPAC name of 3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole (CID 134194444) is 3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole.
What is the SMILES notation for 3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole?
The canonical SMILES for 3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccc(-c3ccc(-n5c6ccccc6c6ccccc65)cc3)cc2n4-c2ccccc2)cc1.
What is the InChIKey of 3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole?
The InChIKey is LBEAZOMFQYIECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-3-13-34(14-4-1)50-45-22-12-9-19-39(45)41-30-48-42(31-47(41)50)40-28-25-33(29-46(40)51(48)35-15-5-2-6-16-35)32-23-26-36(27-24-32)49-43-20-10-7-17-37(43)38-18-8-11-21-44(38)49/h1-31H.
What are the key properties of 3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole?
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole has a molecular weight of 649.80 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole is sourced from PubChem (CID 134194444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).