2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline

C34H22N4 — CID 171732037

IUPAC2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline
SMILESc1ccc(-c2cnc(-c3ccc4ccc5ccc(-c6ccccc6-c6ccccc6)nc5c4n3)nc2)cc1
InChIInChI=1S/C34H22N4/c1-3-9-23(10-4-1)27-21-35-34(36-22-27)31-20-18-26-16-15-25-17-19-30(37-32(25)33(26)38-31)29-14-8-7-13-28(29)24-11-5-2-6-12-24/h1-22H
InChIKeySREXKIBFRITRQV-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.24
Rot. Bonds4

About 2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline

2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline (PubChem CID 171732037) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline
PubChem CID171732037
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline
SMILESc1ccc(-c2cnc(-c3ccc4ccc5ccc(-c6ccccc6-c6ccccc6)nc5c4n3)nc2)cc1
InChIInChI=1S/C34H22N4/c1-3-9-23(10-4-1)27-21-35-34(36-22-27)31-20-18-26-16-15-25-17-19-30(37-32(25)33(26)38-31)29-14-8-7-13-28(29)24-11-5-2-6-12-24/h1-22H
InChIKeySREXKIBFRITRQV-UHFFFAOYSA-N
XLogP8.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-9-[4-[2-[2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010512
2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline
CID 129172574
2-phenyl-9-quinazolin-2-yl-1,10-phenanthroline
CID 171732276
5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine
CID 140968105
2-phenyl-9-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 134596769
2,9-bis(5,6-diphenyl-1,2,4-triazin-3-yl)-1,10-phenanthroline
CID 102314874
6-phenyl-2-(2-phenylphenyl)quinoline
CID 141343784
5-(4-phenylphenyl)-2-pyrimidin-5-ylpyrimidine
CID 102365642
2-phenyl-9-[4-[2-(2-pyrimidin-2-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 164779363
2-phenyl-9-[4-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 134596728
2,9-diphenyl-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 168818398
2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221322

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline?
The IUPAC name of 2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline (CID 171732037) is 2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline is c1ccc(-c2cnc(-c3ccc4ccc5ccc(-c6ccccc6-c6ccccc6)nc5c4n3)nc2)cc1.
What is the InChIKey of 2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline?
The InChIKey is SREXKIBFRITRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-3-9-23(10-4-1)27-21-35-34(36-22-27)31-20-18-26-16-15-25-17-19-30(37-32(25)33(26)38-31)29-14-8-7-13-28(29)24-11-5-2-6-12-24/h1-22H.
What are the key properties of 2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline?
2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline has a molecular weight of 486.58 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenyl)-9-(5-phenylpyrimidin-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 171732037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).