N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine

C51H53N — CID 170445450

IUPACN-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2cc3c(cc2-c2ccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cc2)-c2ccccc2C3(C)C)cc1
InChIInChI=1S/C51H53N/c1-48(2,3)37-24-26-39(27-25-37)52(38-15-11-10-12-16-38)47-33-45-42(40-17-13-14-18-43(40)51(45,8)9)32-41(47)35-21-19-34(20-22-35)36-23-28-44-46(31-36)50(6,7)30-29-49(44,4)5/h10-28,31-33H,29-30H2,1-9H3
InChIKeyGMLKXPSQIKKUEF-UHFFFAOYSA-N
MW679.99 g/mol
LogP14.44
Rot. Bonds5

About N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine

N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine (PubChem CID 170445450) has the molecular formula C51H53N and a molecular weight of 679.99 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
PubChem CID170445450
Molecular FormulaC51H53N
Molecular Weight679.99 g/mol
Exact Mass679.42
IUPAC NameN-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2cc3c(cc2-c2ccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cc2)-c2ccccc2C3(C)C)cc1
InChIInChI=1S/C51H53N/c1-48(2,3)37-24-26-39(27-25-37)52(38-15-11-10-12-16-38)47-33-45-42(40-17-13-14-18-43(40)51(45,8)9)32-41(47)35-21-19-34(20-22-35)36-23-28-44-46(31-36)50(6,7)30-29-49(44,4)5/h10-28,31-33H,29-30H2,1-9H3
InChIKeyGMLKXPSQIKKUEF-UHFFFAOYSA-N
XLogP14.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.99
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170445739
9,9-dimethyl-N,N-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445023
N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine
CID 170445039
9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170445740
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445119
9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445032
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170445654
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170447496
N,N-bis(4-tert-butylphenyl)-9,9-dimethyl-3-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170446597
9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 169039509
N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170447239
N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyldibenzofuran-1-amine
CID 170445122

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine (CID 170445450) is N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine is CC(C)(C)c1ccc(N(c2ccccc2)c2cc3c(cc2-c2ccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cc2)-c2ccccc2C3(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine?
The InChIKey is GMLKXPSQIKKUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H53N/c1-48(2,3)37-24-26-39(27-25-37)52(38-15-11-10-12-16-38)47-33-45-42(40-17-13-14-18-43(40)51(45,8)9)32-41(47)35-21-19-34(20-22-35)36-23-28-44-46(31-36)50(6,7)30-29-49(44,4)5/h10-28,31-33H,29-30H2,1-9H3.
What are the key properties of N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine?
N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine has a molecular weight of 679.99 g/mol, XLogP of 14.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170445450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).