2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline

C38H28N2 — CID 11375703

IUPAC2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
SMILESCc1ccccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4C)nc3c2n1
InChIInChI=1S/C38H28N2/c1-25-13-9-11-19-29(25)35-23-33(27-15-5-3-6-16-27)31-21-22-32-34(28-17-7-4-8-18-28)24-36(40-38(32)37(31)39-35)30-20-12-10-14-26(30)2/h3-24H,1-2H3
InChIKeyWDWCQVCKJJWQIE-UHFFFAOYSA-N
MW512.66 g/mol
LogP10.07
Rot. Bonds4

About 2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline

2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline (PubChem CID 11375703) has the molecular formula C38H28N2 and a molecular weight of 512.66 g/mol. Its IUPAC name is 2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
PubChem CID11375703
Molecular FormulaC38H28N2
Molecular Weight512.66 g/mol
Exact Mass512.23
IUPAC Name2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
SMILESCc1ccccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4C)nc3c2n1
InChIInChI=1S/C38H28N2/c1-25-13-9-11-19-29(25)35-23-33(27-15-5-3-6-16-27)31-21-22-32-34(28-17-7-4-8-18-28)24-36(40-38(32)37(31)39-35)30-20-12-10-14-26(30)2/h3-24H,1-2H3
InChIKeyWDWCQVCKJJWQIE-UHFFFAOYSA-N
XLogP10.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,9-bis(2,5-dimethylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909605
2-[2,5-dimethyl-4-(9-methyl-4,7-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-9-methyl-4,7-diphenyl-1,10-phenanthroline
CID 59736414
4,7-diphenyl-2,9-bis(3,4,5-trimethylphenyl)-1,10-phenanthroline
CID 22972089
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
2,9-bis(5-ethyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405085
2-methyl-4,7,9-triphenyl-1,10-phenanthroline
CID 58704555
2,9-bis(3-ethyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405079
2,9-bis(2,3-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,4-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;2,9-bis(2,6-dimethylphenyl)-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-2,9-bis(2,3,4-trimethylphenyl)-1,10-phenanthroline
CID 159094402
[2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane
CID 141480420
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-methyl-4-phenyl-1,10-phenanthroline
CID 168818387
4,7-diphenyl-2,9-bis(2,3,4-triethylphenyl)-1,10-phenanthroline
CID 23405089
2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 160699118

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline?
The IUPAC name of 2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline (CID 11375703) is 2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline?
The canonical SMILES for 2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline is Cc1ccccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4C)nc3c2n1.
What is the InChIKey of 2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline?
The InChIKey is WDWCQVCKJJWQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2/c1-25-13-9-11-19-29(25)35-23-33(27-15-5-3-6-16-27)31-21-22-32-34(28-17-7-4-8-18-28)24-36(40-38(32)37(31)39-35)30-20-12-10-14-26(30)2/h3-24H,1-2H3.
What are the key properties of 2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline?
2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline has a molecular weight of 512.66 g/mol, XLogP of 10.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline is sourced from PubChem (CID 11375703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).