2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline

C30H24N2 — CID 90069586

IUPAC2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline
SMILESNc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1C1=CCCC=C1
InChIInChI=1S/C30H24N2/c31-28-17-15-22(19-26(28)21-9-3-1-4-10-21)23-16-18-30-27(20-23)25-13-7-8-14-29(25)32(30)24-11-5-2-6-12-24/h2-3,5-20H,1,4,31H2
InChIKeyVMHRXLCDJHEBKJ-UHFFFAOYSA-N
MW412.54 g/mol
LogP7.77
Rot. Bonds3

About 2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline

2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline (PubChem CID 90069586) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline
PubChem CID90069586
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline
SMILESNc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1C1=CCCC=C1
InChIInChI=1S/C30H24N2/c31-28-17-15-22(19-26(28)21-9-3-1-4-10-21)23-16-18-30-27(20-23)25-13-7-8-14-29(25)32(30)24-11-5-2-6-12-24/h2-3,5-20H,1,4,31H2
InChIKeyVMHRXLCDJHEBKJ-UHFFFAOYSA-N
XLogP7.77
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
2-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 90069500
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline
CID 90069493
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 166723458
2-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole
CID 153146709
9-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-14-[4-(3-phenylphenyl)phenyl]-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;ethane
CID 177063272
3-(6-cyclohexa-1,5-dien-1-yldibenzothiophen-4-yl)-9-[4-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87157526
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166958703
3-[9-[2-carbazol-9-yl-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166701858

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline (CID 90069586) is 2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline is Nc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1C1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline?
The InChIKey is VMHRXLCDJHEBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2/c31-28-17-15-22(19-26(28)21-9-3-1-4-10-21)23-16-18-30-27(20-23)25-13-7-8-14-29(25)32(30)24-11-5-2-6-12-24/h2-3,5-20H,1,4,31H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline?
2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline has a molecular weight of 412.54 g/mol, XLogP of 7.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 90069586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).