N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine

C49H37N — CID 170134796

IUPACN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4ccccc4c3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cccc21
InChIInChI=1S/C49H37N/c1-49(2)44-25-13-11-23-42(44)48-41(24-15-26-45(48)49)40-22-12-14-27-46(40)50(39-30-28-35-18-9-10-21-37(35)32-39)47-31-29-38(34-16-5-3-6-17-34)33-43(47)36-19-7-4-8-20-36/h3-33H,1-2H3
InChIKeyXSTUZFJCWZCETM-UHFFFAOYSA-N
MW639.84 g/mol
LogP13.62
Rot. Bonds6

About N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine (PubChem CID 170134796) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine
PubChem CID170134796
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4ccccc4c3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cccc21
InChIInChI=1S/C49H37N/c1-49(2)44-25-13-11-23-42(44)48-41(24-15-26-45(48)49)40-22-12-14-27-46(40)50(39-30-28-35-18-9-10-21-37(35)32-39)47-31-29-38(34-16-5-3-6-17-34)33-43(47)36-19-7-4-8-20-36/h3-33H,1-2H3
InChIKeyXSTUZFJCWZCETM-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.84
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-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-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 170135293
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 155181875
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 170134747
N-(2,4-dinaphthalen-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155181697
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 170134955
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
CID 155181751
9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170303411
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019813
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117408
9,9-dimethyl-N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169019931
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170142050

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine (CID 170134796) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4ccccc4c3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine?
The InChIKey is XSTUZFJCWZCETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-49(2)44-25-13-11-23-42(44)48-41(24-15-26-45(48)49)40-22-12-14-27-46(40)50(39-30-28-35-18-9-10-21-37(35)32-39)47-31-29-38(34-16-5-3-6-17-34)33-43(47)36-19-7-4-8-20-36/h3-33H,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine?
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine has a molecular weight of 639.84 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 170134796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).