3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole

C42H30N2 — CID 174244045

IUPAC3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole
SMILESC1=CC2C(C=C1c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1c(-c3ccccc3)cccc1N2c1ccccc1
InChIInChI=1S/C42H30N2/c1-4-13-29(14-5-1)34-20-12-22-41-42(34)37-28-31(24-26-40(37)44(41)33-17-8-3-9-18-33)30-23-25-39-36(27-30)35-19-10-11-21-38(35)43(39)32-15-6-2-7-16-32/h1-28,37,40H
InChIKeyWPHNPBFAYWBRMR-UHFFFAOYSA-N
MW562.72 g/mol
LogP10.71
Rot. Bonds4

About 3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole

3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole (PubChem CID 174244045) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole
PubChem CID174244045
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC Name3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole
SMILESC1=CC2C(C=C1c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1c(-c3ccccc3)cccc1N2c1ccccc1
InChIInChI=1S/C42H30N2/c1-4-13-29(14-5-1)34-20-12-22-41-42(34)37-28-31(24-26-40(37)44(41)33-17-8-3-9-18-33)30-23-25-39-36(27-30)35-19-10-11-21-38(35)43(39)32-15-6-2-7-16-32/h1-28,37,40H
InChIKeyWPHNPBFAYWBRMR-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

5,9-diphenyl-3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
CID 174252041
9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
CID 130180361
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
6-[3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 144560235
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
5-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146339498
3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 149382960
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-9-[3-(4-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 139438644
9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole
CID 168748236
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345

Frequently Asked Questions

What is the IUPAC name of 3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole?
The IUPAC name of 3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole (CID 174244045) is 3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole is C1=CC2C(C=C1c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1c(-c3ccccc3)cccc1N2c1ccccc1.
What is the InChIKey of 3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole?
The InChIKey is WPHNPBFAYWBRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-4-13-29(14-5-1)34-20-12-22-41-42(34)37-28-31(24-26-40(37)44(41)33-17-8-3-9-18-33)30-23-25-39-36(27-30)35-19-10-11-21-38(35)43(39)32-15-6-2-7-16-32/h1-28,37,40H.
What are the key properties of 3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole?
3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole 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 3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 174244045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).