2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline

C50H32N2 — CID 69433443

IUPAC2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3cccc4c3Cc3ccccc3-4)nc3c2ccc2c(-c4ccccc4)cc(-c4cccc5c4Cc4ccccc4-5)nc23)cc1
InChIInChI=1S/C50H32N2/c1-3-13-31(14-4-1)43-29-47(39-23-11-21-37-35-19-9-7-17-33(35)27-45(37)39)51-49-41(43)25-26-42-44(32-15-5-2-6-16-32)30-48(52-50(42)49)40-24-12-22-38-36-20-10-8-18-34(36)28-46(38)40/h1-26,29-30H,27-28H2
InChIKeyKCAXMOMPLCDEOJ-UHFFFAOYSA-N
MW660.82 g/mol
LogP12.59
Rot. Bonds4

About 2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline

2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline (PubChem CID 69433443) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline
PubChem CID69433443
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC Name2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3cccc4c3Cc3ccccc3-4)nc3c2ccc2c(-c4ccccc4)cc(-c4cccc5c4Cc4ccccc4-5)nc23)cc1
InChIInChI=1S/C50H32N2/c1-3-13-31(14-4-1)43-29-47(39-23-11-21-37-35-19-9-7-17-33(35)27-45(37)39)51-49-41(43)25-26-42-44(32-15-5-2-6-16-32)30-48(52-50(42)49)40-24-12-22-38-36-20-10-8-18-34(36)28-46(38)40/h1-26,29-30H,27-28H2
InChIKeyKCAXMOMPLCDEOJ-UHFFFAOYSA-N
XLogP12.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-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

2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 11375703
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2-[4-(9H-fluoren-1-yl)-2,6-diphenylphenoxy]ethanol
CID 67660456
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
dibenzofuran;1-phenyl-9H-fluorene
CID 175545610
2,9-bis(2-cyclohexylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 22972033
2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene
CID 160799240
[2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane
CID 141480420
9-[3-(9H-fluoren-1-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 143848200
2,9-bis(3-ethyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405079

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline?
The IUPAC name of 2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline (CID 69433443) is 2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline?
The canonical SMILES for 2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline is c1ccc(-c2cc(-c3cccc4c3Cc3ccccc3-4)nc3c2ccc2c(-c4ccccc4)cc(-c4cccc5c4Cc4ccccc4-5)nc23)cc1.
What is the InChIKey of 2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline?
The InChIKey is KCAXMOMPLCDEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-3-13-31(14-4-1)43-29-47(39-23-11-21-37-35-19-9-7-17-33(35)27-45(37)39)51-49-41(43)25-26-42-44(32-15-5-2-6-16-32)30-48(52-50(42)49)40-24-12-22-38-36-20-10-8-18-34(36)28-46(38)40/h1-26,29-30H,27-28H2.
What are the key properties of 2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline?
2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline has a molecular weight of 660.82 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline is sourced from PubChem (CID 69433443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).