N-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine

C39H36N2 — CID 71016523

IUPACN-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine
SMILESCC1(C)C2=CC=C(N(C3=CC=CCC3)c3ccc4c(c3)c3c(n4-c4ccccc4)C=CCC3)CC2c2ccccc21
InChIInChI=1S/C39H36N2/c1-39(2)35-19-11-9-17-31(35)33-25-29(21-23-36(33)39)40(27-13-5-3-6-14-27)30-22-24-38-34(26-30)32-18-10-12-20-37(32)41(38)28-15-7-4-8-16-28/h3-5,7-9,11-13,15-17,19-24,26,33H,6,10,14,18,25H2,1-2H3
InChIKeyMDTOTOVPLFPXLA-UHFFFAOYSA-N
MW532.73 g/mol
LogP9.92
Rot. Bonds4

About N-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine

N-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine (PubChem CID 71016523) has the molecular formula C39H36N2 and a molecular weight of 532.73 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine
PubChem CID71016523
Molecular FormulaC39H36N2
Molecular Weight532.73 g/mol
Exact Mass532.29
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine
SMILESCC1(C)C2=CC=C(N(C3=CC=CCC3)c3ccc4c(c3)c3c(n4-c4ccccc4)C=CCC3)CC2c2ccccc21
InChIInChI=1S/C39H36N2/c1-39(2)35-19-11-9-17-31(35)33-25-29(21-23-36(33)39)40(27-13-5-3-6-14-27)30-22-24-38-34(26-30)32-18-10-12-20-37(32)41(38)28-15-7-4-8-16-28/h3-5,7-9,11-13,15-17,19-24,26,33H,6,10,14,18,25H2,1-2H3
InChIKeyMDTOTOVPLFPXLA-UHFFFAOYSA-N
XLogP9.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.73
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine?
The IUPAC name of 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) is N-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine is CC1(C)C2=CC=C(N(C3=CC=CCC3)c3ccc4c(c3)c3c(n4-c4ccccc4)C=CCC3)CC2c2ccccc21.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine?
The InChIKey is MDTOTOVPLFPXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36N2/c1-39(2)35-19-11-9-17-31(35)33-25-29(21-23-36(33)39)40(27-13-5-3-6-14-27)30-22-24-38-34(26-30)32-18-10-12-20-37(32)41(38)28-15-7-4-8-16-28/h3-5,7-9,11-13,15-17,19-24,26,33H,6,10,14,18,25H2,1-2H3.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine?
N-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine has a molecular weight of 532.73 g/mol, XLogP of 9.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine is sourced from PubChem (CID 71016523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).