2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole

C42H28N2 — CID 90321601

IUPAC2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole
SMILESc1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccccc5)c4c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H28N2/c1-4-14-29(15-5-1)37-28-42-38(34-21-11-13-23-40(34)44(42)32-18-8-3-9-19-32)27-36(37)30-24-25-35-33-20-10-12-22-39(33)43(41(35)26-30)31-16-6-2-7-17-31/h1-28H
InChIKeyZVCNIBGCUJGEQG-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.21
Rot. Bonds4

About 2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole

2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole (PubChem CID 90321601) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole.

Molecular Properties

Compound Name2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole
PubChem CID90321601
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC Name2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole
SMILESc1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccccc5)c4c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H28N2/c1-4-14-29(15-5-1)37-28-42-38(34-21-11-13-23-40(34)44(42)32-18-8-3-9-19-32)27-36(37)30-24-25-35-33-20-10-12-22-39(33)43(41(35)26-30)31-16-6-2-7-17-31/h1-28H
InChIKeyZVCNIBGCUJGEQG-UHFFFAOYSA-N
XLogP11.21
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90321526
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-3-(9-phenylcarbazol-2-yl)carbazole
CID 58511274
2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404973
3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole
CID 90321574
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-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134598259
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
9-dibenzofuran-4-yl-3-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 90321642

Frequently Asked Questions

What is the IUPAC name of 2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole?
The IUPAC name of 2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole (CID 90321601) is 2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole.
What is the SMILES notation for 2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole?
The canonical SMILES for 2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole is c1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccccc5)c4c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole?
The InChIKey is ZVCNIBGCUJGEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-4-14-29(15-5-1)37-28-42-38(34-21-11-13-23-40(34)44(42)32-18-8-3-9-19-32)27-36(37)30-24-25-35-33-20-10-12-22-39(33)43(41(35)26-30)31-16-6-2-7-17-31/h1-28H.
What are the key properties of 2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole?
2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole has a molecular weight of 560.70 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole is sourced from PubChem (CID 90321601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).