9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane

C45H39N3 — CID 144541414

IUPAC9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane
SMILESCC.CC.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)nc1
InChIInChI=1S/C41H27N3.2C2H6/c1-4-19-38-33(15-1)34-16-2-5-20-39(34)43(38)31-13-10-14-32(27-31)44-40-21-6-3-17-35(40)36-26-29(22-23-41(36)44)28-11-9-12-30(25-28)37-18-7-8-24-42-37;2*1-2/h1-27H;2*1-2H3
InChIKeyPZZVAHBZAOYRGK-UHFFFAOYSA-N
MW621.83 g/mol
LogP12.66
Rot. Bonds4

About 9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane

9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane (PubChem CID 144541414) has the molecular formula C45H39N3 and a molecular weight of 621.83 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane.

Molecular Properties

Compound Name9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane
PubChem CID144541414
Molecular FormulaC45H39N3
Molecular Weight621.83 g/mol
Exact Mass621.31
IUPAC Name9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane
SMILESCC.CC.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)nc1
InChIInChI=1S/C41H27N3.2C2H6/c1-4-19-38-33(15-1)34-16-2-5-20-39(34)43(38)31-13-10-14-32(27-31)44-40-21-6-3-17-35(40)36-26-29(22-23-41(36)44)28-11-9-12-30(25-28)37-18-7-8-24-42-37;2*1-2/h1-27H;2*1-2H3
InChIKeyPZZVAHBZAOYRGK-UHFFFAOYSA-N
XLogP12.66
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.83
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
3-[3-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209024
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
8-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221984
9-phenyl-2-pyridin-2-yl-6-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 140814524
9,14-bis(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118504672
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
7-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221946
3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole
CID 155770026
3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 71278025
2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608

Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane?
The IUPAC name of 9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane (CID 144541414) is 9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane.
What is the SMILES notation for 9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane?
The canonical SMILES for 9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane is CC.CC.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)nc1.
What is the InChIKey of 9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane?
The InChIKey is PZZVAHBZAOYRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3.2C2H6/c1-4-19-38-33(15-1)34-16-2-5-20-39(34)43(38)31-13-10-14-32(27-31)44-40-21-6-3-17-35(40)36-26-29(22-23-41(36)44)28-11-9-12-30(25-28)37-18-7-8-24-42-37;2*1-2/h1-27H;2*1-2H3.
What are the key properties of 9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane?
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane has a molecular weight of 621.83 g/mol, XLogP of 12.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane is sourced from PubChem (CID 144541414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).