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

C42H28N2 — CID 90321526

IUPAC3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2cc3c4ccccc4n(-c4ccccc4)c3cc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H28N2/c1-4-14-29(15-5-1)35-27-38-34-21-11-13-23-40(34)44(32-18-8-3-9-19-32)42(38)28-36(35)30-24-25-41-37(26-30)33-20-10-12-22-39(33)43(41)31-16-6-2-7-17-31/h1-28H
InChIKeyLMHZTNLSLIITMF-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.21
Rot. Bonds4

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

3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 90321526) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole
PubChem CID90321526
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC Name3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2cc3c4ccccc4n(-c4ccccc4)c3cc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H28N2/c1-4-14-29(15-5-1)35-27-38-34-21-11-13-23-40(34)44(32-18-8-3-9-19-32)42(38)28-36(35)30-24-25-41-37(26-30)33-20-10-12-22-39(33)43(41)31-16-6-2-7-17-31/h1-28H
InChIKeyLMHZTNLSLIITMF-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

2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole
CID 90321601
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134598259
3-(4,6-diphenylpyrimidin-2-yl)-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90348761
2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 176837359
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
3-(4-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 130412631
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
3-[9-[3-(2,4-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144560233
3-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 90321705
3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
CID 152852425
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
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013

Frequently Asked Questions

What is the IUPAC name of 3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole (CID 90321526) is 3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole is c1ccc(-c2cc3c4ccccc4n(-c4ccccc4)c3cc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is LMHZTNLSLIITMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-4-14-29(15-5-1)35-27-38-34-21-11-13-23-40(34)44(32-18-8-3-9-19-32)42(38)28-36(35)30-24-25-41-37(26-30)33-20-10-12-22-39(33)43(41)31-16-6-2-7-17-31/h1-28H.
What are the key properties of 3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole?
3,9-diphenyl-2-(9-phenylcarbazol-3-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 3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 90321526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).