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

C52H52N2 — CID 167073919

IUPACN-(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
SMILESCC1CC(N(C2=CCC3C(=C2)C(C)(C)c2ccccc23)c2ccc(C3CC=CCC3)cc2)=CC=C1C1=CC2c3ccccc3N(c3ccccc3)C2CC1
InChIInChI=1S/C52H52N2/c1-35-32-41(27-29-43(35)38-24-31-51-47(33-38)46-19-11-13-21-50(46)54(51)39-16-8-5-9-17-39)53(40-25-22-37(23-26-40)36-14-6-4-7-15-36)42-28-30-45-44-18-10-12-20-48(44)52(2,3)49(45)34-42/h4-6,8-13,16-23,25-29,33-36,45,47,51H,7,14-15,24,30-32H2,1-3H3
InChIKeyVRIWQONAMGQXLB-UHFFFAOYSA-N
MW705.00 g/mol
LogP13.48
Rot. Bonds6

About 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

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 (PubChem CID 167073919) has the molecular formula C52H52N2 and a molecular weight of 705.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID167073919
Molecular FormulaC52H52N2
Molecular Weight705.00 g/mol
Exact Mass704.41
IUPAC NameN-(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
SMILESCC1CC(N(C2=CCC3C(=C2)C(C)(C)c2ccccc23)c2ccc(C3CC=CCC3)cc2)=CC=C1C1=CC2c3ccccc3N(c3ccccc3)C2CC1
InChIInChI=1S/C52H52N2/c1-35-32-41(27-29-43(35)38-24-31-51-47(33-38)46-19-11-13-21-50(46)54(51)39-16-8-5-9-17-39)53(40-25-22-37(23-26-40)36-14-6-4-7-15-36)42-28-30-45-44-18-10-12-20-48(44)52(2,3)49(45)34-42/h4-6,8-13,16-23,25-29,33-36,45,47,51H,7,14-15,24,30-32H2,1-3H3
InChIKeyVRIWQONAMGQXLB-UHFFFAOYSA-N
XLogP13.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.00
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-[(4aS)-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine
CID 167246980
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine
CID 144896705
N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[b]fluoren-3-amine
CID 146330222
9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine
CID 156558959
2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine
CID 142961443
N-(4-methylphenyl)-N-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-9-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-4a,9a-dihydrocarbazol-4-amine
CID 126727389
9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-2-amine
CID 170003580
N-(3-bicyclo[4.1.0]hepta-1,3-dienyl)-4a-methyl-N-[4-[9-(4-methylphenyl)-1,2,4b,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-9bH-dibenzofuran-1-amine
CID 166957119
N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167143221
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
4-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138529075
N-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine
CID 71016523

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC(N(C2=CCC3C(=C2)C(C)(C)c2ccccc23)c2ccc(C3CC=CCC3)cc2)=CC=C1C1=CC2c3ccccc3N(c3ccccc3)C2CC1.
What is the InChIKey of 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?
The InChIKey is VRIWQONAMGQXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H52N2/c1-35-32-41(27-29-43(35)38-24-31-51-47(33-38)46-19-11-13-21-50(46)54(51)39-16-8-5-9-17-39)53(40-25-22-37(23-26-40)36-14-6-4-7-15-36)42-28-30-45-44-18-10-12-20-48(44)52(2,3)49(45)34-42/h4-6,8-13,16-23,25-29,33-36,45,47,51H,7,14-15,24,30-32H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 705.00 g/mol, XLogP of 13.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167073919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).