2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline

C53H34N2 — CID 134596702

IUPAC2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc(-c7cccc8ccccc78)ccc5-6)nc4c3n2)cc1
InChIInChI=1S/C53H34N2/c1-4-14-36(15-5-1)49-31-27-37-23-24-38-28-32-50(55-52(38)51(37)54-49)40-26-30-46-45-29-25-39(44-22-12-16-35-13-10-11-21-43(35)44)33-47(45)53(48(46)34-40,41-17-6-2-7-18-41)42-19-8-3-9-20-42/h1-34H
InChIKeyVECPIDQANCDLCH-UHFFFAOYSA-N
MW698.87 g/mol
LogP13.30
Rot. Bonds5

About 2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline

2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline (PubChem CID 134596702) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is 2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline
PubChem CID134596702
Molecular FormulaC53H34N2
Molecular Weight698.87 g/mol
Exact Mass698.27
IUPAC Name2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc(-c7cccc8ccccc78)ccc5-6)nc4c3n2)cc1
InChIInChI=1S/C53H34N2/c1-4-14-36(15-5-1)49-31-27-37-23-24-38-28-32-50(55-52(38)51(37)54-49)40-26-30-46-45-29-25-39(44-22-12-16-35-13-10-11-21-43(35)44)33-47(45)53(48(46)34-40,41-17-6-2-7-18-41)42-19-8-3-9-20-42/h1-34H
InChIKeyVECPIDQANCDLCH-UHFFFAOYSA-N
XLogP13.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline 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

2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
2-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 168777315
2-[3-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725059
2-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 168778980
2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline
CID 134596697
10,10-diphenyl-21-[3-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-3-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 146231028
2-[4-(11,11-diphenylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778060
2-(3-acridin-9-ylphenyl)-9-(3-naphthalen-1-ylphenyl)-1,10-phenanthroline
CID 134167787

Frequently Asked Questions

What is the IUPAC name of 2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline?
The IUPAC name of 2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline (CID 134596702) is 2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc(-c7cccc8ccccc78)ccc5-6)nc4c3n2)cc1.
What is the InChIKey of 2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline?
The InChIKey is VECPIDQANCDLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-4-14-36(15-5-1)49-31-27-37-23-24-38-28-32-50(55-52(38)51(37)54-49)40-26-30-46-45-29-25-39(44-22-12-16-35-13-10-11-21-43(35)44)33-47(45)53(48(46)34-40,41-17-6-2-7-18-41)42-19-8-3-9-20-42/h1-34H.
What are the key properties of 2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline?
2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline has a molecular weight of 698.87 g/mol, XLogP of 13.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 134596702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).