2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline

C49H31N3 — CID 146548655

IUPAC2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3cccc4c(-c5ccccc5)nc5ccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)cc5c34)cc2)cc1
InChIInChI=1S/C49H31N3/c1-4-11-32(12-5-1)33-19-21-34(22-20-33)40-17-10-18-41-46(40)42-31-39(27-30-45(42)52-47(41)36-15-8-3-9-16-36)44-29-26-38-24-23-37-25-28-43(35-13-6-2-7-14-35)50-48(37)49(38)51-44/h1-31H
InChIKeySWTAKFLWKLGVJJ-UHFFFAOYSA-N
MW661.81 g/mol
LogP12.82
Rot. Bonds5

About 2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline

2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline (PubChem CID 146548655) has the molecular formula C49H31N3 and a molecular weight of 661.81 g/mol. Its IUPAC name is 2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline
PubChem CID146548655
Molecular FormulaC49H31N3
Molecular Weight661.81 g/mol
Exact Mass661.25
IUPAC Name2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3cccc4c(-c5ccccc5)nc5ccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)cc5c34)cc2)cc1
InChIInChI=1S/C49H31N3/c1-4-11-32(12-5-1)33-19-21-34(22-20-33)40-17-10-18-41-46(40)42-31-39(27-30-45(42)52-47(41)36-15-8-3-9-16-36)44-29-26-38-24-23-37-25-28-43(35-13-6-2-7-14-35)50-48(37)49(38)51-44/h1-31H
InChIKeySWTAKFLWKLGVJJ-UHFFFAOYSA-N
XLogP12.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.81
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-9-(10-phenyl-6-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline
CID 146548687
2-phenyl-9-(10-phenyl-6-pyridin-3-ylphenanthridin-2-yl)-1,10-phenanthroline
CID 146550015
2-phenyl-9-[10-phenyl-6-(4-phenyl-2-pyridinyl)phenanthridin-2-yl]-1,10-phenanthroline
CID 146548287
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-phenyl-9-(6-phenyl-10-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline
CID 161059939
2-phenyl-9-[4-(6-pyridin-3-ylphenanthridin-10-yl)phenyl]-1,10-phenanthroline
CID 146548238
2-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548632
2-[3-(6,10-diphenylphenanthridin-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;4-[4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 159906159
2-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549212
6,15-diphenyl-20-(9-phenyl-1,10-phenanthrolin-2-yl)-2,5,16-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20-undecaene
CID 170198126
2-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548633
2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline
CID 176785086
10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine
CID 146548513

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline?
The IUPAC name of 2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline (CID 146548655) is 2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline is c1ccc(-c2ccc(-c3cccc4c(-c5ccccc5)nc5ccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)cc5c34)cc2)cc1.
What is the InChIKey of 2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline?
The InChIKey is SWTAKFLWKLGVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3/c1-4-11-32(12-5-1)33-19-21-34(22-20-33)40-17-10-18-41-46(40)42-31-39(27-30-45(42)52-47(41)36-15-8-3-9-16-36)44-29-26-38-24-23-37-25-28-43(35-13-6-2-7-14-35)50-48(37)49(38)51-44/h1-31H.
What are the key properties of 2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline?
2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline has a molecular weight of 661.81 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 146548655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).