N-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine

C41H55N — CID 156627749

IUPACN-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)CCC(c2ccccc2N(c2cc3c(cc2C2CCC(C)(C)CC2)-c2ccccc2C3(C)C)C(C)(C)C)CC1
InChIInChI=1S/C41H55N/c1-38(2,3)42(36-17-13-11-14-30(36)28-18-22-39(4,5)23-19-28)37-27-35-33(31-15-10-12-16-34(31)41(35,8)9)26-32(37)29-20-24-40(6,7)25-21-29/h10-17,26-29H,18-25H2,1-9H3
InChIKeyUMBCRIZFUNJTQN-UHFFFAOYSA-N
MW561.90 g/mol
LogP12.30
Rot. Bonds4

About N-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine

N-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 156627749) has the molecular formula C41H55N and a molecular weight of 561.90 g/mol. Its IUPAC name is N-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID156627749
Molecular FormulaC41H55N
Molecular Weight561.90 g/mol
Exact Mass561.43
IUPAC NameN-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)CCC(c2ccccc2N(c2cc3c(cc2C2CCC(C)(C)CC2)-c2ccccc2C3(C)C)C(C)(C)C)CC1
InChIInChI=1S/C41H55N/c1-38(2,3)42(36-17-13-11-14-30(36)28-18-22-39(4,5)23-19-28)37-27-35-33(31-15-10-12-16-34(31)41(35,8)9)26-32(37)29-20-24-40(6,7)25-21-29/h10-17,26-29H,18-25H2,1-9H3
InChIKeyUMBCRIZFUNJTQN-UHFFFAOYSA-N
XLogP12.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.90
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-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-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 156627586
N-tert-butyl-3-cyclohexyl-N-(2-cyclohexyl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine;3-cyclopentyl-N-(2-cyclopentyl-4-phenylphenyl)-9,9-dimethyl-N-propan-2-ylfluoren-2-amine;3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)-4-phenylphenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine
CID 159578288
N-tert-butyl-2-(1-deuterio-4,4-dimethylcyclohexyl)-N-[2-(1-deuterio-4,4-dimethylcyclohexyl)-4-phenylphenyl]-9,9-dimethylfluoren-3-amine
CID 156627705
N-tert-butyl-2-(1-deuterio-4,4-dimethylcyclohexyl)-N-[2-(1-deuterio-4,4-dimethylcyclohexyl)-6-phenylphenyl]-9,9-dimethylfluoren-3-amine
CID 156627585
N-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 156627551
N-tert-butyl-2-cyclohexyl-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N-tert-butyl-2-cyclopentyl-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N-tert-butyl-2-cyclopropyl-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N,2-ditert-butyl-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158201898
N-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine
CID 156627708
N-tert-butyl-5-cyclohexyl-2,9,9-trimethyl-N-(2-methylphenyl)fluoren-3-amine
CID 156627501
N-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 177124785
N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 160916569
N-tert-butyl-5-(9,9-dimethylfluoren-2-yl)-2-fluoro-N-(2-fluorophenyl)aniline
CID 90264056
N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 156627635

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine (CID 156627749) is N-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)CCC(c2ccccc2N(c2cc3c(cc2C2CCC(C)(C)CC2)-c2ccccc2C3(C)C)C(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is UMBCRIZFUNJTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H55N/c1-38(2,3)42(36-17-13-11-14-30(36)28-18-22-39(4,5)23-19-28)37-27-35-33(31-15-10-12-16-34(31)41(35,8)9)26-32(37)29-20-24-40(6,7)25-21-29/h10-17,26-29H,18-25H2,1-9H3.
What are the key properties of N-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine?
N-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 561.90 g/mol, XLogP of 12.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 156627749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).