1-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylphenyl)-1-methyl-2,3-dihydropyrrolo[3,2-b]carbazole

C39H36N2 — CID 126560032

IUPAC1-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylphenyl)-1-methyl-2,3-dihydropyrrolo[3,2-b]carbazole
SMILESCC1(C2=CCCC=C2)c2cc3c(cc2NC1C1C=CC=CC1)c1ccccc1n3-c1cccc(C2C=CC=CC2)c1
InChIInChI=1S/C39H36N2/c1-39(30-19-9-4-10-20-30)34-26-37-33(25-35(34)40-38(39)28-16-7-3-8-17-28)32-22-11-12-23-36(32)41(37)31-21-13-18-29(24-31)27-14-5-2-6-15-27/h2-3,5-9,11-14,16,18-28,38,40H,4,10,15,17H2,1H3
InChIKeyQQGPLKKODDDFOX-UHFFFAOYSA-N
MW532.73 g/mol
LogP9.84
Rot. Bonds4

About 1-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylphenyl)-1-methyl-2,3-dihydropyrrolo[3,2-b]carbazole

1-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylphenyl)-1-methyl-2,3-dihydropyrrolo[3,2-b]carbazole (PubChem CID 126560032) has the molecular formula C39H36N2 and a molecular weight of 532.73 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylphenyl)-1-methyl-2,3-dihydropyrrolo[3,2-b]carbazole.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylphenyl)-1-methyl-2,3-dihydropyrrolo[3,2-b]carbazole
PubChem CID126560032
Molecular FormulaC39H36N2
Molecular Weight532.73 g/mol
Exact Mass532.29
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylphenyl)-1-methyl-2,3-dihydropyrrolo[3,2-b]carbazole
SMILESCC1(C2=CCCC=C2)c2cc3c(cc2NC1C1C=CC=CC1)c1ccccc1n3-c1cccc(C2C=CC=CC2)c1
InChIInChI=1S/C39H36N2/c1-39(30-19-9-4-10-20-30)34-26-37-33(25-35(34)40-38(39)28-16-7-3-8-17-28)32-22-11-12-23-36(32)41(37)31-21-13-18-29(24-31)27-14-5-2-6-15-27/h2-3,5-9,11-14,16,18-28,38,40H,4,10,15,17H2,1H3
InChIKeyQQGPLKKODDDFOX-UHFFFAOYSA-N
XLogP9.84
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.73
LogP ≤ 59.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylphenyl)-1-methyl-2,3-dihydropyrrolo[3,2-b]carbazole with MolForge

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Related Compounds

3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
1,1-dimethyl-2,9-diphenyl-2,3-dihydropyrrolo[3,2-b]carbazole
CID 126560201
5-[3-[2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 144947118
3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole
CID 170002276
2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 149206255
3-[9-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 165155084
4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine
CID 138723851
5-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-yl)naphthalen-2-yl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 145085044
3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 130217889
2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole
CID 174281541

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylphenyl)-1-methyl-2,3-dihydropyrrolo[3,2-b]carbazole?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylphenyl)-1-methyl-2,3-dihydropyrrolo[3,2-b]carbazole (CID 126560032) is 1-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylphenyl)-1-methyl-2,3-dihydropyrrolo[3,2-b]carbazole.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylphenyl)-1-methyl-2,3-dihydropyrrolo[3,2-b]carbazole?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylphenyl)-1-methyl-2,3-dihydropyrrolo[3,2-b]carbazole is CC1(C2=CCCC=C2)c2cc3c(cc2NC1C1C=CC=CC1)c1ccccc1n3-c1cccc(C2C=CC=CC2)c1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylphenyl)-1-methyl-2,3-dihydropyrrolo[3,2-b]carbazole?
The InChIKey is QQGPLKKODDDFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36N2/c1-39(30-19-9-4-10-20-30)34-26-37-33(25-35(34)40-38(39)28-16-7-3-8-17-28)32-22-11-12-23-36(32)41(37)31-21-13-18-29(24-31)27-14-5-2-6-15-27/h2-3,5-9,11-14,16,18-28,38,40H,4,10,15,17H2,1H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylphenyl)-1-methyl-2,3-dihydropyrrolo[3,2-b]carbazole?
1-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylphenyl)-1-methyl-2,3-dihydropyrrolo[3,2-b]carbazole has a molecular weight of 532.73 g/mol, XLogP of 9.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-9-(3-cyclohexa-2,4-dien-1-ylphenyl)-1-methyl-2,3-dihydropyrrolo[3,2-b]carbazole is sourced from PubChem (CID 126560032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).