N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine

C39H34N2 — CID 70904528

IUPACN-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine
SMILESCC1(C)C2=C(CCC=C2)c2cc(N(c3ccccc3)c3ccc4c(c3)c3c(n4-c4ccccc4)C=CCC3)ccc21
InChIInChI=1S/C39H34N2/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/h3-8,11-16,19-26H,9-10,17-18H2,1-2H3
InChIKeySWNLBWPUWNLDDX-UHFFFAOYSA-N
MW530.72 g/mol
LogP10.45
Rot. Bonds4

About N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine

N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine (PubChem CID 70904528) has the molecular formula C39H34N2 and a molecular weight of 530.72 g/mol. Its IUPAC name is N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine
PubChem CID70904528
Molecular FormulaC39H34N2
Molecular Weight530.72 g/mol
Exact Mass530.27
IUPAC NameN-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine
SMILESCC1(C)C2=C(CCC=C2)c2cc(N(c3ccccc3)c3ccc4c(c3)c3c(n4-c4ccccc4)C=CCC3)ccc21
InChIInChI=1S/C39H34N2/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/h3-8,11-16,19-26H,9-10,17-18H2,1-2H3
InChIKeySWNLBWPUWNLDDX-UHFFFAOYSA-N
XLogP10.45
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.72
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-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

Related Compounds

N-(4-fluorophenyl)-N-[4-[4-(4-fluoro-N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 129301071
4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143216545
7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170245027
N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine
CID 167214690
N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline
CID 134504787
9,9-dimethyl-N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 167280862
N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine
CID 155150330
N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine
CID 126636088
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
6-tert-butyl-9-phenyl-3,4-dihydrocarbazole
CID 134351479
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311526
N-[4-[6,7-diphenyl-9-[4-(N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-g]quinoxalin-4-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 170245968

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine?
The IUPAC name of N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine (CID 70904528) is N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine is CC1(C)C2=C(CCC=C2)c2cc(N(c3ccccc3)c3ccc4c(c3)c3c(n4-c4ccccc4)C=CCC3)ccc21.
What is the InChIKey of N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine?
The InChIKey is SWNLBWPUWNLDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N2/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/h3-8,11-16,19-26H,9-10,17-18H2,1-2H3.
What are the key properties of N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine?
N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine has a molecular weight of 530.72 g/mol, XLogP of 10.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine is sourced from PubChem (CID 70904528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).