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

C49H33N — CID 167218091

IUPAC9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-4-amine
SMILESC(#CC1(c2ccc3ccccc3c2)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cccc21)c1ccccc1
InChIInChI=1S/C49H33N/c1-4-15-36(16-5-1)33-34-49(41-30-27-38-19-10-11-20-40(38)35-41)45-24-13-12-23-44(45)48-46(49)25-14-26-47(48)50(42-21-8-3-9-22-42)43-31-28-39(29-32-43)37-17-6-2-7-18-37/h1-32,35H
InChIKeyCGBZQQRKCNYWGX-UHFFFAOYSA-N
MW635.81 g/mol
LogP12.34
Rot. Bonds5

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

9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 167218091) 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-4-amine.

Molecular Properties

Compound Name9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID167218091
Molecular FormulaC49H33N
Molecular Weight635.81 g/mol
Exact Mass635.26
IUPAC Name9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-4-amine
SMILESC(#CC1(c2ccc3ccccc3c2)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cccc21)c1ccccc1
InChIInChI=1S/C49H33N/c1-4-15-36(16-5-1)33-34-49(41-30-27-38-19-10-11-20-40(38)35-41)45-24-13-12-23-44(45)48-46(49)25-14-26-47(48)50(42-21-8-3-9-22-42)43-31-28-39(29-32-43)37-17-6-2-7-18-37/h1-32,35H
InChIKeyCGBZQQRKCNYWGX-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'}

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Related Compounds

9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 171727516
N-(4-naphthalen-2-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019576
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 167271873
9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine
CID 167218092
N-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine
CID 171727614
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020176
N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166031981
N-[4-[7-[4-[4-(4-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]naphthalen-1-yl]phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167247172
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019857
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019813
9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019936
9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020071

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-4-amine (CID 167218091) is 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-4-amine is C(#CC1(c2ccc3ccccc3c2)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cccc21)c1ccccc1.
What is the InChIKey of 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is CGBZQQRKCNYWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N/c1-4-15-36(16-5-1)33-34-49(41-30-27-38-19-10-11-20-40(38)35-41)45-24-13-12-23-44(45)48-46(49)25-14-26-47(48)50(42-21-8-3-9-22-42)43-31-28-39(29-32-43)37-17-6-2-7-18-37/h1-32,35H.
What are the key properties of 9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-4-amine?
9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-4-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-4-amine is sourced from PubChem (CID 167218091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).