N-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine

C37H42N2 — CID 170096068

IUPACN-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine
SMILESCC1CCCC=C1N(C1C=CC=CC1)C1C=CC(C2=CCC(n3c4c(c5c3C=CCC5)CCC=C4)C=C2)=CC1
InChIInChI=1S/C37H42N2/c1-27-11-5-8-16-35(27)38(30-12-3-2-4-13-30)31-23-19-28(20-24-31)29-21-25-32(26-22-29)39-36-17-9-6-14-33(36)34-15-7-10-18-37(34)39/h2-4,9-10,12,16-23,25,27,30-32H,5-8,11,13-15,24,26H2,1H3
InChIKeyXCXUUEYRWGNPRJ-UHFFFAOYSA-N
MW514.76 g/mol
LogP8.98
Rot. Bonds5

About N-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine

N-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine (PubChem CID 170096068) has the molecular formula C37H42N2 and a molecular weight of 514.76 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine
PubChem CID170096068
Molecular FormulaC37H42N2
Molecular Weight514.76 g/mol
Exact Mass514.33
IUPAC NameN-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine
SMILESCC1CCCC=C1N(C1C=CC=CC1)C1C=CC(C2=CCC(n3c4c(c5c3C=CCC5)CCC=C4)C=C2)=CC1
InChIInChI=1S/C37H42N2/c1-27-11-5-8-16-35(27)38(30-12-3-2-4-13-30)31-23-19-28(20-24-31)29-21-25-32(26-22-29)39-36-17-9-6-14-33(36)34-15-7-10-18-37(34)39/h2-4,9-10,12,16-23,25,27,30-32H,5-8,11,13-15,24,26H2,1H3
InChIKeyXCXUUEYRWGNPRJ-UHFFFAOYSA-N
XLogP8.98
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.76
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine with MolForge

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Related Compounds

9-[4-[10-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]anthracen-9-yl]cyclohexa-2,4-dien-1-yl]-3,4-dihydrocarbazole
CID 142867894
4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine
CID 144601194
N-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline
CID 170020974
9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole
CID 134390909
N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine
CID 131994219
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
4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine
CID 135218372
9-[4-[1-[4-(1,2,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexyl]phenyl]-4a,9a-dihydrocarbazole
CID 163782469
4-tert-butyl-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-amine
CID 59523998
(3Z,5E,8R,9E,11Z,14S,16R,17E,22R)-8,14,16-trihydroxy-22-methyl-1-oxacyclodocosa-3,5,9,11,17-pentaen-2-one
CID 162913525
N-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine
CID 139297515
N-cyclohexa-2,4-dien-1-yl-N-methylaniline
CID 15822281

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine (CID 170096068) is N-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine is CC1CCCC=C1N(C1C=CC=CC1)C1C=CC(C2=CCC(n3c4c(c5c3C=CCC5)CCC=C4)C=C2)=CC1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine?
The InChIKey is XCXUUEYRWGNPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N2/c1-27-11-5-8-16-35(27)38(30-12-3-2-4-13-30)31-23-19-28(20-24-31)29-21-25-32(26-22-29)39-36-17-9-6-14-33(36)34-15-7-10-18-37(34)39/h2-4,9-10,12,16-23,25,27,30-32H,5-8,11,13-15,24,26H2,1H3.
What are the key properties of N-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine?
N-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine has a molecular weight of 514.76 g/mol, XLogP of 8.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 170096068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).