9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole

C39H37N4- — CID 145085544

IUPAC9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole
SMILESC1=CC(C2[N-]C(c3ccccc3)NC(C3=CC(n4c5c(c6ccccc64)CC(c4ccccc4)C=C5)=CCC3)N2)=CCC1
InChIInChI=1S/C39H37N4/c1-4-13-27(14-5-1)30-23-24-36-34(26-30)33-21-10-11-22-35(33)43(36)32-20-12-19-31(25-32)39-41-37(28-15-6-2-7-16-28)40-38(42-39)29-17-8-3-9-18-29/h1-2,4-8,10-11,13-18,20-25,30,37-39,41-42H,3,9,12,19,26H2/q-1
InChIKeyBYJVOYROJNGYMG-UHFFFAOYSA-N
MW561.75 g/mol
LogP8.75
Rot. Bonds5

About 9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole

9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole (PubChem CID 145085544) has the molecular formula C39H37N4- and a molecular weight of 561.75 g/mol. Its IUPAC name is 9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole
PubChem CID145085544
Molecular FormulaC39H37N4-
Molecular Weight561.75 g/mol
Exact Mass561.30
IUPAC Name9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole
SMILESC1=CC(C2[N-]C(c3ccccc3)NC(C3=CC(n4c5c(c6ccccc64)CC(c4ccccc4)C=C5)=CCC3)N2)=CCC1
InChIInChI=1S/C39H37N4/c1-4-13-27(14-5-1)30-23-24-36-34(26-30)33-21-10-11-22-35(33)43(36)32-20-12-19-31(25-32)39-41-37(28-15-6-2-7-16-28)40-38(42-39)29-17-8-3-9-18-29/h1-2,4-8,10-11,13-18,20-25,30,37-39,41-42H,3,9,12,19,26H2/q-1
InChIKeyBYJVOYROJNGYMG-UHFFFAOYSA-N
XLogP8.75
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.75
LogP ≤ 58.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole with MolForge

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Related Compounds

9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole
CID 145085569
9-cyclohexa-1,5-dien-1-yl-3-(9-dibenzothiophen-4-yl-3,4-dihydrocarbazol-3-yl)carbazole
CID 166889623
9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 163950045
9-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)carbazole
CID 145272973
9-[3-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-yl)phenyl]carbazole
CID 144963874
9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole
CID 146532040
2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile
CID 163919039
5-[6-(9-cyclohexa-1,5-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 147988073
3-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9-[4-(9,9-diphenylfluoren-1-yl)phenyl]-3,4-dihydrocarbazole
CID 118123016
3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole
CID 126700298
9-phenyl-1-(9-phenyl-3,4-dihydrocarbazol-3-yl)carbazole
CID 118228720
3-(7,8,9,9a-tetrahydro-4aH-carbazol-2-yl)-9-(3-phenylphenyl)-3,4-dihydrocarbazole
CID 129022416

Frequently Asked Questions

What is the IUPAC name of 9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole?
The IUPAC name of 9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole (CID 145085544) is 9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole.
What is the SMILES notation for 9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole?
The canonical SMILES for 9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole is C1=CC(C2[N-]C(c3ccccc3)NC(C3=CC(n4c5c(c6ccccc64)CC(c4ccccc4)C=C5)=CCC3)N2)=CCC1.
What is the InChIKey of 9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole?
The InChIKey is BYJVOYROJNGYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37N4/c1-4-13-27(14-5-1)30-23-24-36-34(26-30)33-21-10-11-22-35(33)43(36)32-20-12-19-31(25-32)39-41-37(28-15-6-2-7-16-28)40-38(42-39)29-17-8-3-9-18-29/h1-2,4-8,10-11,13-18,20-25,30,37-39,41-42H,3,9,12,19,26H2/q-1.
What are the key properties of 9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole?
9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole has a molecular weight of 561.75 g/mol, XLogP of 8.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole is sourced from PubChem (CID 145085544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).