2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline

C54H42N2 — CID 168853228

IUPAC2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline
SMILESCC(C)c1cc(-c2ccccc2)nc2c1ccc1c(C(C)C)cc(-c3ccccc3-c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)nc12
InChIInChI=1S/C54H42N2/c1-33(2)48-31-51(35-16-6-5-7-17-35)55-53-46(48)28-29-47-49(34(3)4)32-52(56-54(47)53)45-25-15-14-23-42(45)38-19-9-8-18-37(38)36-26-27-44-41-22-11-10-20-39(41)40-21-12-13-24-43(40)50(44)30-36/h5-34H,1-4H3
InChIKeyNRIDNMSJFTYKBK-UHFFFAOYSA-N
MW718.94 g/mol
LogP15.16
Rot. Bonds6

About 2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline

2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline (PubChem CID 168853228) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is 2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline
PubChem CID168853228
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC Name2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline
SMILESCC(C)c1cc(-c2ccccc2)nc2c1ccc1c(C(C)C)cc(-c3ccccc3-c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)nc12
InChIInChI=1S/C54H42N2/c1-33(2)48-31-51(35-16-6-5-7-17-35)55-53-46(48)28-29-47-49(34(3)4)32-52(56-54(47)53)45-25-15-14-23-42(45)38-19-9-8-18-37(38)36-26-27-44-41-22-11-10-20-39(41)40-21-12-13-24-43(40)50(44)30-36/h5-34H,1-4H3
InChIKeyNRIDNMSJFTYKBK-UHFFFAOYSA-N
XLogP15.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)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-cyclohexa-2,4-dien-1-yl-4-phenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]pyrimidine
CID 134407069
2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline
CID 170166669
4,7-dinaphthalen-2-yl-2,9-diphenyl-1,10-phenanthroline
CID 70909440
4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 130264541
6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline
CID 89137414
2-[10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123785417
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
2,4-diphenyl-6-triphenylen-2-ylpyridine
CID 118490712
2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425
9-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-4-propan-2-yl-1,10-phenanthroline;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-methyl-2-phenyl-1,10-phenanthroline;9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-methyl-2-naphthalen-2-yl-1,10-phenanthroline
CID 160595212
9-[4-(7,9-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-2,4-diphenyl-1,10-phenanthroline
CID 59736484
2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]-4,6-diphenylpyridine
CID 59722087

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline (CID 168853228) is 2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline is CC(C)c1cc(-c2ccccc2)nc2c1ccc1c(C(C)C)cc(-c3ccccc3-c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)nc12.
What is the InChIKey of 2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline?
The InChIKey is NRIDNMSJFTYKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2/c1-33(2)48-31-51(35-16-6-5-7-17-35)55-53-46(48)28-29-47-49(34(3)4)32-52(56-54(47)53)45-25-15-14-23-42(45)38-19-9-8-18-37(38)36-26-27-44-41-22-11-10-20-39(41)40-21-12-13-24-43(40)50(44)30-36/h5-34H,1-4H3.
What are the key properties of 2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline?
2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline has a molecular weight of 718.94 g/mol, XLogP of 15.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,7-di(propan-2-yl)-9-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 168853228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).