9-[4-[4-[4-(2,3-dihydroindol-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole

C38H30N2 — CID 163674769

IUPAC9-[4-[4-[4-(2,3-dihydroindol-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole
SMILESC1=CC(n2c3ccccc3c3ccccc32)CC=C1c1ccc(-c2ccc(N3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C38H30N2/c1-4-10-36-31(7-1)25-26-39(36)32-21-17-29(18-22-32)27-13-15-28(16-14-27)30-19-23-33(24-20-30)40-37-11-5-2-8-34(37)35-9-3-6-12-38(35)40/h1-23,33H,24-26H2
InChIKeyJFSATEHDZMTGGV-UHFFFAOYSA-N
MW514.67 g/mol
LogP9.74
Rot. Bonds4

About 9-[4-[4-[4-(2,3-dihydroindol-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole

9-[4-[4-[4-(2,3-dihydroindol-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole (PubChem CID 163674769) has the molecular formula C38H30N2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 9-[4-[4-[4-(2,3-dihydroindol-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[4-(2,3-dihydroindol-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole
PubChem CID163674769
Molecular FormulaC38H30N2
Molecular Weight514.67 g/mol
Exact Mass514.24
IUPAC Name9-[4-[4-[4-(2,3-dihydroindol-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole
SMILESC1=CC(n2c3ccccc3c3ccccc32)CC=C1c1ccc(-c2ccc(N3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C38H30N2/c1-4-10-36-31(7-1)25-26-39(36)32-21-17-29(18-22-32)27-13-15-28(16-14-27)30-19-23-33(24-20-30)40-37-11-5-2-8-34(37)35-9-3-6-12-38(35)40/h1-23,33H,24-26H2
InChIKeyJFSATEHDZMTGGV-UHFFFAOYSA-N
XLogP9.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-phenylcyclohexa-2,4-dien-1-yl)-14-(4-phenylphenyl)-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 170086624
9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole
CID 143099598
9-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]phenyl]carbazole
CID 90215596
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 139447207
9-[4-[2-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)-5-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 143103822
3-[9-[3-(2,3-dihydropyridin-4-yl)-5-phenylphenyl]carbazol-2-yl]-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 146266708
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
3-(9H-carbazol-3-yl)-9-(4-ethylcyclohexa-2,4-dien-1-yl)carbazole
CID 163849948
9-[4-[4-(4,5,6-triphenyl-1,4-dihydropyrimidin-2-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrido[3,4-b]indole
CID 139525708
1-[4-(bromomethyl)phenyl]-2,3-dihydroindole
CID 107079450
4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)-N-(3-methyl-1,4-dinaphthalen-2-ylnaphthalen-2-yl)cyclohexa-2,4-dien-1-imine
CID 143396309
9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-(2,3-dihydroindol-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole?
The IUPAC name of 9-[4-[4-[4-(2,3-dihydroindol-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole (CID 163674769) is 9-[4-[4-[4-(2,3-dihydroindol-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole.
What is the SMILES notation for 9-[4-[4-[4-(2,3-dihydroindol-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole?
The canonical SMILES for 9-[4-[4-[4-(2,3-dihydroindol-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole is C1=CC(n2c3ccccc3c3ccccc32)CC=C1c1ccc(-c2ccc(N3CCc4ccccc43)cc2)cc1.
What is the InChIKey of 9-[4-[4-[4-(2,3-dihydroindol-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole?
The InChIKey is JFSATEHDZMTGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2/c1-4-10-36-31(7-1)25-26-39(36)32-21-17-29(18-22-32)27-13-15-28(16-14-27)30-19-23-33(24-20-30)40-37-11-5-2-8-34(37)35-9-3-6-12-38(35)40/h1-23,33H,24-26H2.
What are the key properties of 9-[4-[4-[4-(2,3-dihydroindol-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole?
9-[4-[4-[4-(2,3-dihydroindol-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole has a molecular weight of 514.67 g/mol, XLogP of 9.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-(2,3-dihydroindol-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole is sourced from PubChem (CID 163674769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).