9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole

C42H30N2 — CID 130180361

IUPAC9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
SMILESC1=CC2C(C=C1c1ccccc1-c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1ccccc1N2c1ccccc1
InChIInChI=1S/C42H30N2/c1-3-13-31(14-4-1)43-39-21-11-9-19-35(39)37-27-29(23-25-41(37)43)33-17-7-8-18-34(33)30-24-26-42-38(28-30)36-20-10-12-22-40(36)44(42)32-15-5-2-6-16-32/h1-28,37,41H
InChIKeyHLBXCEWUAMTPMK-UHFFFAOYSA-N
MW562.72 g/mol
LogP10.71
Rot. Bonds4

About 9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole

9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole (PubChem CID 130180361) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
PubChem CID130180361
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC Name9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
SMILESC1=CC2C(C=C1c1ccccc1-c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1ccccc1N2c1ccccc1
InChIInChI=1S/C42H30N2/c1-3-13-31(14-4-1)43-39-21-11-9-19-35(39)37-27-29(23-25-41(37)43)33-17-7-8-18-34(33)30-24-26-42-38(28-30)36-20-10-12-22-40(36)44(42)32-15-5-2-6-16-32/h1-28,37,41H
InChIKeyHLBXCEWUAMTPMK-UHFFFAOYSA-N
XLogP10.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
5,9-diphenyl-3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
CID 174252041
5-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146339498
3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole
CID 174244045
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
6-[3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 144560235
3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 149382960
14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 89285749
9-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole
CID 144670243
3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-9-[3-(4-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 139438644
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456080
9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole
CID 168748236

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole?
The IUPAC name of 9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole (CID 130180361) is 9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole?
The canonical SMILES for 9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole is C1=CC2C(C=C1c1ccccc1-c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1ccccc1N2c1ccccc1.
What is the InChIKey of 9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole?
The InChIKey is HLBXCEWUAMTPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-3-13-31(14-4-1)43-39-21-11-9-19-35(39)37-27-29(23-25-41(37)43)33-17-7-8-18-34(33)30-24-26-42-38(28-30)36-20-10-12-22-40(36)44(42)32-15-5-2-6-16-32/h1-28,37,41H.
What are the key properties of 9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole?
9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole has a molecular weight of 562.72 g/mol, XLogP of 10.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 130180361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).