9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-2-amine

C49H37N — CID 170529453

IUPAC9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3-c3cccc4ccccc34)c(-c3ccccc3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C49H37N/c1-49(2)44-30-17-28-39(35-18-6-3-7-19-35)48(44)43-32-42(36-20-8-4-9-21-36)47(33-45(43)49)50(37-24-10-5-11-25-37)46-31-15-14-27-41(46)40-29-16-23-34-22-12-13-26-38(34)40/h3-33H,1-2H3
InChIKeyMVRHCSQPKMSDLF-UHFFFAOYSA-N
MW639.84 g/mol
LogP13.62
Rot. Bonds6

About 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-2-amine

9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-2-amine (PubChem CID 170529453) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-2-amine
PubChem CID170529453
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC Name9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3-c3cccc4ccccc34)c(-c3ccccc3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C49H37N/c1-49(2)44-30-17-28-39(35-18-6-3-7-19-35)48(44)43-32-42(36-20-8-4-9-21-36)47(33-45(43)49)50(37-24-10-5-11-25-37)46-31-15-14-27-41(46)40-29-16-23-34-22-12-13-26-38(34)40/h3-33H,1-2H3
InChIKeyMVRHCSQPKMSDLF-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 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-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-[4-(9,9-dimethyl-3,5-diphenylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 170529480
9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine
CID 170417859
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 169039673
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 170134747
9,9-dimethyl-5-naphthalen-2-yl-3-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170529491
9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170529489
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117447
9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine
CID 170417724
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303519
9,9-dimethyl-5-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417762
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-2-amine (CID 170529453) is 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-2-amine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3-c3cccc4ccccc34)c(-c3ccccc3)cc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-2-amine?
The InChIKey is MVRHCSQPKMSDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-49(2)44-30-17-28-39(35-18-6-3-7-19-35)48(44)43-32-42(36-20-8-4-9-21-36)47(33-45(43)49)50(37-24-10-5-11-25-37)46-31-15-14-27-41(46)40-29-16-23-34-22-12-13-26-38(34)40/h3-33H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-2-amine?
9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-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 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-2-amine is sourced from PubChem (CID 170529453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).