9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine

C49H33N — CID 171727516

IUPAC9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine
SMILESC(#CC1(c2ccc3ccccc3c2)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc21)c1ccccc1
InChIInChI=1S/C49H33N/c1-4-14-36(15-5-1)32-33-49(41-27-24-38-18-10-11-19-40(38)34-41)47-23-13-12-22-45(47)46-31-30-44(35-48(46)49)50(42-20-8-3-9-21-42)43-28-25-39(26-29-43)37-16-6-2-7-17-37/h1-31,34-35H
InChIKeyXRMAWVAKJJLGQI-UHFFFAOYSA-N
MW635.81 g/mol
LogP12.34
Rot. Bonds5

About 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine

9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 171727516) has the molecular formula C49H33N and a molecular weight of 635.81 g/mol. Its IUPAC name is 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID171727516
Molecular FormulaC49H33N
Molecular Weight635.81 g/mol
Exact Mass635.26
IUPAC Name9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine
SMILESC(#CC1(c2ccc3ccccc3c2)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc21)c1ccccc1
InChIInChI=1S/C49H33N/c1-4-14-36(15-5-1)32-33-49(41-27-24-38-18-10-11-19-40(38)34-41)47-23-13-12-22-45(47)46-31-30-44(35-48(46)49)50(42-20-8-3-9-21-42)43-28-25-39(26-29-43)37-16-6-2-7-17-37/h1-31,34-35H
InChIKeyXRMAWVAKJJLGQI-UHFFFAOYSA-N
XLogP12.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.81
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-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,3-diphenyl-N-[3-[9-phenyl-9-(2-phenylethynyl)fluoren-2-yl]phenyl]aniline
CID 167217938
4-[9-(2-phenylethynyl)fluoren-9-yl]-N,N-bis[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]aniline
CID 146504426
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 166565630
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831
4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247
N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 146540100
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566284
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158116026

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine (CID 171727516) is 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine is C(#CC1(c2ccc3ccccc3c2)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc21)c1ccccc1.
What is the InChIKey of 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is XRMAWVAKJJLGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N/c1-4-14-36(15-5-1)32-33-49(41-27-24-38-18-10-11-19-40(38)34-41)47-23-13-12-22-45(47)46-31-30-44(35-48(46)49)50(42-20-8-3-9-21-42)43-28-25-39(26-29-43)37-16-6-2-7-17-37/h1-31,34-35H.
What are the key properties of 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine?
9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 635.81 g/mol, XLogP of 12.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 171727516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).