3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole

C36H26N2 — CID 142322093

IUPAC3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESC1=CCC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)C=C1
InChIInChI=1S/C36H26N2/c1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)38(36)28-13-5-2-6-14-28/h1-13,15-24,28H,14H2
InChIKeyJWDOHOFNTFXGBZ-UHFFFAOYSA-N
MW486.62 g/mol
LogP9.62
Rot. Bonds3

About 3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole

3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole (PubChem CID 142322093) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
PubChem CID142322093
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC Name3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESC1=CCC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)C=C1
InChIInChI=1S/C36H26N2/c1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)38(36)28-13-5-2-6-14-28/h1-13,15-24,28H,14H2
InChIKeyJWDOHOFNTFXGBZ-UHFFFAOYSA-N
XLogP9.62
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole
CID 88529559
9-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 134416567
9-cyclohexa-2,4-dien-1-yl-3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazole
CID 163416606
7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 145141021
3-butyl-9-cyclohexa-2,4-dien-1-yl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole
CID 163846017
4-chloro-9-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-14-(9-phenylcarbazol-3-yl)-1,3,5,6,8,10,11,13,15-nonazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
CID 172603873
6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 142308570
2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 145140879
11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
CID 126570171
3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 145212544

Frequently Asked Questions

What is the IUPAC name of 3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole?
The IUPAC name of 3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole (CID 142322093) is 3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole is C1=CCC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)C=C1.
What is the InChIKey of 3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole?
The InChIKey is JWDOHOFNTFXGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)38(36)28-13-5-2-6-14-28/h1-13,15-24,28H,14H2.
What are the key properties of 3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole?
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole has a molecular weight of 486.62 g/mol, XLogP of 9.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 142322093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).