N-(4-tert-butylphenyl)-9,9-dimethyl-N-[2-[8-(5-methylcyclohexa-1,3-dien-1-yl)naphthalen-1-yl]phenyl]fluoren-2-amine

C48H45N — CID 170291968

IUPACN-(4-tert-butylphenyl)-9,9-dimethyl-N-[2-[8-(5-methylcyclohexa-1,3-dien-1-yl)naphthalen-1-yl]phenyl]fluoren-2-amine
SMILESCC1C=CC=C(c2cccc3cccc(-c4ccccc4N(c4ccc(C(C)(C)C)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c23)C1
InChIInChI=1S/C48H45N/c1-32-14-11-17-34(30-32)38-20-12-15-33-16-13-21-42(46(33)38)41-19-8-10-23-45(41)49(36-26-24-35(25-27-36)47(2,3)4)37-28-29-40-39-18-7-9-22-43(39)48(5,6)44(40)31-37/h7-29,31-32H,30H2,1-6H3
InChIKeyCHWUFYYAIIHLFG-UHFFFAOYSA-N
MW635.90 g/mol
LogP13.56
Rot. Bonds5

About N-(4-tert-butylphenyl)-9,9-dimethyl-N-[2-[8-(5-methylcyclohexa-1,3-dien-1-yl)naphthalen-1-yl]phenyl]fluoren-2-amine

N-(4-tert-butylphenyl)-9,9-dimethyl-N-[2-[8-(5-methylcyclohexa-1,3-dien-1-yl)naphthalen-1-yl]phenyl]fluoren-2-amine (PubChem CID 170291968) has the molecular formula C48H45N and a molecular weight of 635.90 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-9,9-dimethyl-N-[2-[8-(5-methylcyclohexa-1,3-dien-1-yl)naphthalen-1-yl]phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-9,9-dimethyl-N-[2-[8-(5-methylcyclohexa-1,3-dien-1-yl)naphthalen-1-yl]phenyl]fluoren-2-amine
PubChem CID170291968
Molecular FormulaC48H45N
Molecular Weight635.90 g/mol
Exact Mass635.36
IUPAC NameN-(4-tert-butylphenyl)-9,9-dimethyl-N-[2-[8-(5-methylcyclohexa-1,3-dien-1-yl)naphthalen-1-yl]phenyl]fluoren-2-amine
SMILESCC1C=CC=C(c2cccc3cccc(-c4ccccc4N(c4ccc(C(C)(C)C)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c23)C1
InChIInChI=1S/C48H45N/c1-32-14-11-17-34(30-32)38-20-12-15-33-16-13-21-42(46(33)38)41-19-8-10-23-45(41)49(36-26-24-35(25-27-36)47(2,3)4)37-28-29-40-39-18-7-9-22-43(39)48(5,6)44(40)31-37/h7-29,31-32H,30H2,1-6H3
InChIKeyCHWUFYYAIIHLFG-UHFFFAOYSA-N
XLogP13.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.90
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(5-methylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170141223
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170293567
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384797
N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170291586
7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(8-methylnaphthalen-1-yl)fluoren-2-amine
CID 174309727
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 170303968
N-[2-(4-tert-butylphenyl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 170217441
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 170142242
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170303978
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 170144171
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine
CID 170303967
3,5-ditert-butyl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291554

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-9,9-dimethyl-N-[2-[8-(5-methylcyclohexa-1,3-dien-1-yl)naphthalen-1-yl]phenyl]fluoren-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-9,9-dimethyl-N-[2-[8-(5-methylcyclohexa-1,3-dien-1-yl)naphthalen-1-yl]phenyl]fluoren-2-amine (CID 170291968) is N-(4-tert-butylphenyl)-9,9-dimethyl-N-[2-[8-(5-methylcyclohexa-1,3-dien-1-yl)naphthalen-1-yl]phenyl]fluoren-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-9,9-dimethyl-N-[2-[8-(5-methylcyclohexa-1,3-dien-1-yl)naphthalen-1-yl]phenyl]fluoren-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-9,9-dimethyl-N-[2-[8-(5-methylcyclohexa-1,3-dien-1-yl)naphthalen-1-yl]phenyl]fluoren-2-amine is CC1C=CC=C(c2cccc3cccc(-c4ccccc4N(c4ccc(C(C)(C)C)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c23)C1.
What is the InChIKey of N-(4-tert-butylphenyl)-9,9-dimethyl-N-[2-[8-(5-methylcyclohexa-1,3-dien-1-yl)naphthalen-1-yl]phenyl]fluoren-2-amine?
The InChIKey is CHWUFYYAIIHLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H45N/c1-32-14-11-17-34(30-32)38-20-12-15-33-16-13-21-42(46(33)38)41-19-8-10-23-45(41)49(36-26-24-35(25-27-36)47(2,3)4)37-28-29-40-39-18-7-9-22-43(39)48(5,6)44(40)31-37/h7-29,31-32H,30H2,1-6H3.
What are the key properties of N-(4-tert-butylphenyl)-9,9-dimethyl-N-[2-[8-(5-methylcyclohexa-1,3-dien-1-yl)naphthalen-1-yl]phenyl]fluoren-2-amine?
N-(4-tert-butylphenyl)-9,9-dimethyl-N-[2-[8-(5-methylcyclohexa-1,3-dien-1-yl)naphthalen-1-yl]phenyl]fluoren-2-amine has a molecular weight of 635.90 g/mol, XLogP of 13.56, 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-[2-[8-(5-methylcyclohexa-1,3-dien-1-yl)naphthalen-1-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 170291968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).