N-[4-[4-(N-[9-(4-methylcyclohexa-1,5-dien-1-yl)-4a,9a-dihydrocarbazol-2-yl]anilino)cyclohexen-1-yl]cyclohex-3-en-1-yl]-N-(2-methylcyclohexyl)-9-phenyl-4,4a-dihydrocarbazol-2-amine

C62H66N4 — CID 174345225

IUPACN-[4-[4-(N-[9-(4-methylcyclohexa-1,5-dien-1-yl)-4a,9a-dihydrocarbazol-2-yl]anilino)cyclohexen-1-yl]cyclohex-3-en-1-yl]-N-(2-methylcyclohexyl)-9-phenyl-4,4a-dihydrocarbazol-2-amine
SMILESCC1C=CC(N2c3ccccc3C3C=CC(N(c4ccccc4)C4CC=C(C5=CCC(N(C6=CCC7C(=C6)N(c6ccccc6)c6ccccc67)C6CCCCC6C)CC5)CC4)=CC32)=CC1
InChIInChI=1S/C62H66N4/c1-43-25-31-51(32-26-43)66-60-24-14-11-21-55(60)56-39-37-52(41-61(56)66)63(47-16-5-3-6-17-47)49-33-27-45(28-34-49)46-29-35-50(36-30-46)64(58-22-12-9-15-44(58)2)53-38-40-57-54-20-10-13-23-59(54)65(62(57)42-53)48-18-7-4-8-19-48/h3-8,10-11,13-14,16-21,23-25,27,29,31-32,37-39,41-44,49-50,56-58,61H,9,12,15,22,26,28,30,33-36,40H2,1-2H3
InChIKeyIEXLECBMDQHWMT-UHFFFAOYSA-N
MW867.24 g/mol
LogP15.34
Rot. Bonds9

About N-[4-[4-(N-[9-(4-methylcyclohexa-1,5-dien-1-yl)-4a,9a-dihydrocarbazol-2-yl]anilino)cyclohexen-1-yl]cyclohex-3-en-1-yl]-N-(2-methylcyclohexyl)-9-phenyl-4,4a-dihydrocarbazol-2-amine

N-[4-[4-(N-[9-(4-methylcyclohexa-1,5-dien-1-yl)-4a,9a-dihydrocarbazol-2-yl]anilino)cyclohexen-1-yl]cyclohex-3-en-1-yl]-N-(2-methylcyclohexyl)-9-phenyl-4,4a-dihydrocarbazol-2-amine (PubChem CID 174345225) has the molecular formula C62H66N4 and a molecular weight of 867.24 g/mol. Its IUPAC name is N-[4-[4-(N-[9-(4-methylcyclohexa-1,5-dien-1-yl)-4a,9a-dihydrocarbazol-2-yl]anilino)cyclohexen-1-yl]cyclohex-3-en-1-yl]-N-(2-methylcyclohexyl)-9-phenyl-4,4a-dihydrocarbazol-2-amine.

Molecular Properties

Compound NameN-[4-[4-(N-[9-(4-methylcyclohexa-1,5-dien-1-yl)-4a,9a-dihydrocarbazol-2-yl]anilino)cyclohexen-1-yl]cyclohex-3-en-1-yl]-N-(2-methylcyclohexyl)-9-phenyl-4,4a-dihydrocarbazol-2-amine
PubChem CID174345225
Molecular FormulaC62H66N4
Molecular Weight867.24 g/mol
Exact Mass866.53
IUPAC NameN-[4-[4-(N-[9-(4-methylcyclohexa-1,5-dien-1-yl)-4a,9a-dihydrocarbazol-2-yl]anilino)cyclohexen-1-yl]cyclohex-3-en-1-yl]-N-(2-methylcyclohexyl)-9-phenyl-4,4a-dihydrocarbazol-2-amine
SMILESCC1C=CC(N2c3ccccc3C3C=CC(N(c4ccccc4)C4CC=C(C5=CCC(N(C6=CCC7C(=C6)N(c6ccccc6)c6ccccc67)C6CCCCC6C)CC5)CC4)=CC32)=CC1
InChIInChI=1S/C62H66N4/c1-43-25-31-51(32-26-43)66-60-24-14-11-21-55(60)56-39-37-52(41-61(56)66)63(47-16-5-3-6-17-47)49-33-27-45(28-34-49)46-29-35-50(36-30-46)64(58-22-12-9-15-44(58)2)53-38-40-57-54-20-10-13-23-59(54)65(62(57)42-53)48-18-7-4-8-19-48/h3-8,10-11,13-14,16-21,23-25,27,29,31-32,37-39,41-44,49-50,56-58,61H,9,12,15,22,26,28,30,33-36,40H2,1-2H3
InChIKeyIEXLECBMDQHWMT-UHFFFAOYSA-N
XLogP15.34
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.24
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(N-[9-(4-methylcyclohexa-1,5-dien-1-yl)-4a,9a-dihydrocarbazol-2-yl]anilino)cyclohexen-1-yl]cyclohex-3-en-1-yl]-N-(2-methylcyclohexyl)-9-phenyl-4,4a-dihydrocarbazol-2-amine with MolForge

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Related Compounds

9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine
CID 171444293
N-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-N-[5-methyl-4-(9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-4,4a-dihydrofluoren-2-amine
CID 167073919
9-phenyl-4,4a-dihydrocarbazole
CID 139382101
9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole
CID 168748236
4b-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N,12-diphenyl-11bH-[1]benzofuro[2,3-a]carbazol-5-amine
CID 126656588
9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine
CID 163888660
2-[3-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4'-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 118861107
1-(2-methylcyclohexyl)-1-phenylhydrazine
CID 19593890
2-(9-cyclohexa-2,4-dien-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)-9-phenyl-4a,9a-dihydrocarbazole
CID 134390780
CID 123226858
CID 123226858
4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline
CID 143254565
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-4a,9a-dihydrocarbazol-2-amine
CID 168814675

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-[9-(4-methylcyclohexa-1,5-dien-1-yl)-4a,9a-dihydrocarbazol-2-yl]anilino)cyclohexen-1-yl]cyclohex-3-en-1-yl]-N-(2-methylcyclohexyl)-9-phenyl-4,4a-dihydrocarbazol-2-amine?
The IUPAC name of N-[4-[4-(N-[9-(4-methylcyclohexa-1,5-dien-1-yl)-4a,9a-dihydrocarbazol-2-yl]anilino)cyclohexen-1-yl]cyclohex-3-en-1-yl]-N-(2-methylcyclohexyl)-9-phenyl-4,4a-dihydrocarbazol-2-amine (CID 174345225) is N-[4-[4-(N-[9-(4-methylcyclohexa-1,5-dien-1-yl)-4a,9a-dihydrocarbazol-2-yl]anilino)cyclohexen-1-yl]cyclohex-3-en-1-yl]-N-(2-methylcyclohexyl)-9-phenyl-4,4a-dihydrocarbazol-2-amine.
What is the SMILES notation for N-[4-[4-(N-[9-(4-methylcyclohexa-1,5-dien-1-yl)-4a,9a-dihydrocarbazol-2-yl]anilino)cyclohexen-1-yl]cyclohex-3-en-1-yl]-N-(2-methylcyclohexyl)-9-phenyl-4,4a-dihydrocarbazol-2-amine?
The canonical SMILES for N-[4-[4-(N-[9-(4-methylcyclohexa-1,5-dien-1-yl)-4a,9a-dihydrocarbazol-2-yl]anilino)cyclohexen-1-yl]cyclohex-3-en-1-yl]-N-(2-methylcyclohexyl)-9-phenyl-4,4a-dihydrocarbazol-2-amine is CC1C=CC(N2c3ccccc3C3C=CC(N(c4ccccc4)C4CC=C(C5=CCC(N(C6=CCC7C(=C6)N(c6ccccc6)c6ccccc67)C6CCCCC6C)CC5)CC4)=CC32)=CC1.
What is the InChIKey of N-[4-[4-(N-[9-(4-methylcyclohexa-1,5-dien-1-yl)-4a,9a-dihydrocarbazol-2-yl]anilino)cyclohexen-1-yl]cyclohex-3-en-1-yl]-N-(2-methylcyclohexyl)-9-phenyl-4,4a-dihydrocarbazol-2-amine?
The InChIKey is IEXLECBMDQHWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H66N4/c1-43-25-31-51(32-26-43)66-60-24-14-11-21-55(60)56-39-37-52(41-61(56)66)63(47-16-5-3-6-17-47)49-33-27-45(28-34-49)46-29-35-50(36-30-46)64(58-22-12-9-15-44(58)2)53-38-40-57-54-20-10-13-23-59(54)65(62(57)42-53)48-18-7-4-8-19-48/h3-8,10-11,13-14,16-21,23-25,27,29,31-32,37-39,41-44,49-50,56-58,61H,9,12,15,22,26,28,30,33-36,40H2,1-2H3.
What are the key properties of N-[4-[4-(N-[9-(4-methylcyclohexa-1,5-dien-1-yl)-4a,9a-dihydrocarbazol-2-yl]anilino)cyclohexen-1-yl]cyclohex-3-en-1-yl]-N-(2-methylcyclohexyl)-9-phenyl-4,4a-dihydrocarbazol-2-amine?
N-[4-[4-(N-[9-(4-methylcyclohexa-1,5-dien-1-yl)-4a,9a-dihydrocarbazol-2-yl]anilino)cyclohexen-1-yl]cyclohex-3-en-1-yl]-N-(2-methylcyclohexyl)-9-phenyl-4,4a-dihydrocarbazol-2-amine has a molecular weight of 867.24 g/mol, XLogP of 15.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-[9-(4-methylcyclohexa-1,5-dien-1-yl)-4a,9a-dihydrocarbazol-2-yl]anilino)cyclohexen-1-yl]cyclohex-3-en-1-yl]-N-(2-methylcyclohexyl)-9-phenyl-4,4a-dihydrocarbazol-2-amine is sourced from PubChem (CID 174345225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).