6-bromo-3-cyclohexa-1,5-dien-1-yl-9-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrocarbazole

C30H28BrN — CID 163799404

IUPAC6-bromo-3-cyclohexa-1,5-dien-1-yl-9-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrocarbazole
SMILESBrc1ccc2c(c1)c1c(n2C2C=C(C3=CC=CCC3)C=CC2)C=CC(C2=CCCC=C2)C1
InChIInChI=1S/C30H28BrN/c31-25-15-17-30-28(20-25)27-19-24(22-10-5-2-6-11-22)14-16-29(27)32(30)26-13-7-12-23(18-26)21-8-3-1-4-9-21/h1,3,5,7-8,10-12,14-18,20,24,26H,2,4,6,9,13,19H2
InChIKeyNDRICWAENBAHLG-UHFFFAOYSA-N
MW482.47 g/mol
LogP8.57
Rot. Bonds3

About 6-bromo-3-cyclohexa-1,5-dien-1-yl-9-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrocarbazole

6-bromo-3-cyclohexa-1,5-dien-1-yl-9-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrocarbazole (PubChem CID 163799404) has the molecular formula C30H28BrN and a molecular weight of 482.47 g/mol. Its IUPAC name is 6-bromo-3-cyclohexa-1,5-dien-1-yl-9-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrocarbazole.

Molecular Properties

Compound Name6-bromo-3-cyclohexa-1,5-dien-1-yl-9-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrocarbazole
PubChem CID163799404
Molecular FormulaC30H28BrN
Molecular Weight482.47 g/mol
Exact Mass481.14
IUPAC Name6-bromo-3-cyclohexa-1,5-dien-1-yl-9-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrocarbazole
SMILESBrc1ccc2c(c1)c1c(n2C2C=C(C3=CC=CCC3)C=CC2)C=CC(C2=CCCC=C2)C1
InChIInChI=1S/C30H28BrN/c31-25-15-17-30-28(20-25)27-19-24(22-10-5-2-6-11-22)14-16-29(27)32(30)26-13-7-12-23(18-26)21-8-3-1-4-9-21/h1,3,5,7-8,10-12,14-18,20,24,26H,2,4,6,9,13,19H2
InChIKeyNDRICWAENBAHLG-UHFFFAOYSA-N
XLogP8.57
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.47
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-3-cyclohexa-1,5-dien-1-yl-9-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrocarbazole with MolForge

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Related Compounds

2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine
CID 166891285
14-(3-cyclohexa-1,3-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 174297623
1-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-6-(9-cyclohexa-1,5-dien-1-yl-12,14-diphenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-3-phenylcarbazole
CID 123407693
N-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 154937816
2-[10-(5-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,2-dihydroanthracen-9-yl]-1,4,4a,9,10,11b-hexahydronaphtho[2,3-b][1]benzofuran
CID 155065348
9-[4-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]-6-[9-[4-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexylphenyl)cyclohexa-2,4-dien-1-yl]-1,4,4a,4b,5,6,8a,9a-octahydrocarbazol-3-yl]-3,4-dihydrocarbazole
CID 138625861
9-cyclohexa-1,3-dien-1-yl-5,6-diphenyl-4-[6-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-1-yl]indolo[2,3-b]indole
CID 163674129
6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 153304570
9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole
CID 134390909
2-cyclohexa-1,3-dien-1-yl-4-(3-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 174012751
9-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)carbazole
CID 145272973
2-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-5-phenyl-7a,8,9,12a-tetrahydro-[1]benzofuro[3,2-c]carbazole
CID 87287235

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-cyclohexa-1,5-dien-1-yl-9-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrocarbazole?
The IUPAC name of 6-bromo-3-cyclohexa-1,5-dien-1-yl-9-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrocarbazole (CID 163799404) is 6-bromo-3-cyclohexa-1,5-dien-1-yl-9-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrocarbazole.
What is the SMILES notation for 6-bromo-3-cyclohexa-1,5-dien-1-yl-9-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrocarbazole?
The canonical SMILES for 6-bromo-3-cyclohexa-1,5-dien-1-yl-9-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrocarbazole is Brc1ccc2c(c1)c1c(n2C2C=C(C3=CC=CCC3)C=CC2)C=CC(C2=CCCC=C2)C1.
What is the InChIKey of 6-bromo-3-cyclohexa-1,5-dien-1-yl-9-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrocarbazole?
The InChIKey is NDRICWAENBAHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28BrN/c31-25-15-17-30-28(20-25)27-19-24(22-10-5-2-6-11-22)14-16-29(27)32(30)26-13-7-12-23(18-26)21-8-3-1-4-9-21/h1,3,5,7-8,10-12,14-18,20,24,26H,2,4,6,9,13,19H2.
What are the key properties of 6-bromo-3-cyclohexa-1,5-dien-1-yl-9-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrocarbazole?
6-bromo-3-cyclohexa-1,5-dien-1-yl-9-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrocarbazole has a molecular weight of 482.47 g/mol, XLogP of 8.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-cyclohexa-1,5-dien-1-yl-9-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3,4-dihydrocarbazole is sourced from PubChem (CID 163799404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).