N-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine

C39H45N — CID 156627586

IUPACN-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
SMILESCC1(C)CCC(c2cc3c(cc2N(c2cccc(-c4ccccc4)c2)C(C)(C)C)C(C)(C)c2ccccc2-3)CC1
InChIInChI=1S/C39H45N/c1-37(2,3)40(30-17-13-16-29(24-30)27-14-9-8-10-15-27)36-26-35-33(31-18-11-12-19-34(31)39(35,6)7)25-32(36)28-20-22-38(4,5)23-21-28/h8-19,24-26,28H,20-23H2,1-7H3
InChIKeyYTLZDQZVGFEGRA-UHFFFAOYSA-N
MW527.80 g/mol
LogP11.28
Rot. Bonds4

About N-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine

N-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine (PubChem CID 156627586) has the molecular formula C39H45N and a molecular weight of 527.80 g/mol. Its IUPAC name is N-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
PubChem CID156627586
Molecular FormulaC39H45N
Molecular Weight527.80 g/mol
Exact Mass527.36
IUPAC NameN-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
SMILESCC1(C)CCC(c2cc3c(cc2N(c2cccc(-c4ccccc4)c2)C(C)(C)C)C(C)(C)c2ccccc2-3)CC1
InChIInChI=1S/C39H45N/c1-37(2,3)40(30-17-13-16-29(24-30)27-14-9-8-10-15-27)36-26-35-33(31-18-11-12-19-34(31)39(35,6)7)25-32(36)28-20-22-38(4,5)23-21-28/h8-19,24-26,28H,20-23H2,1-7H3
InChIKeyYTLZDQZVGFEGRA-UHFFFAOYSA-N
XLogP11.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.80
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 156627749
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-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-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)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine
CID 156627708
N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline
CID 156627571
N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 177100109
N-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 156627701
9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 156545394
N-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 156627551
N-tert-butyl-2,4-diphenyl-N-(3-phenylphenyl)aniline
CID 177100139

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine (CID 156627586) is N-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine is CC1(C)CCC(c2cc3c(cc2N(c2cccc(-c4ccccc4)c2)C(C)(C)C)C(C)(C)c2ccccc2-3)CC1.
What is the InChIKey of N-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?
The InChIKey is YTLZDQZVGFEGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H45N/c1-37(2,3)40(30-17-13-16-29(24-30)27-14-9-8-10-15-27)36-26-35-33(31-18-11-12-19-34(31)39(35,6)7)25-32(36)28-20-22-38(4,5)23-21-28/h8-19,24-26,28H,20-23H2,1-7H3.
What are the key properties of N-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?
N-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine has a molecular weight of 527.80 g/mol, XLogP of 11.28, 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)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 156627586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).