2,3,4,5-tetraphenyl-1,10-phenanthroline

C36H24N2 — CID 126713568

IUPAC2,3,4,5-tetraphenyl-1,10-phenanthroline
SMILESc1ccc(-c2nc3c(c(-c4ccccc4)cc4cccnc43)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C36H24N2/c1-5-14-25(15-6-1)30-24-29-22-13-23-37-35(29)36-33(30)31(26-16-7-2-8-17-26)32(27-18-9-3-10-19-27)34(38-36)28-20-11-4-12-21-28/h1-24H
InChIKeyYAQZSCKQHADAPZ-UHFFFAOYSA-N
MW484.60 g/mol
LogP9.45
Rot. Bonds4

About 2,3,4,5-tetraphenyl-1,10-phenanthroline

2,3,4,5-tetraphenyl-1,10-phenanthroline (PubChem CID 126713568) has the molecular formula C36H24N2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2,3,4,5-tetraphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2,3,4,5-tetraphenyl-1,10-phenanthroline
PubChem CID126713568
Molecular FormulaC36H24N2
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC Name2,3,4,5-tetraphenyl-1,10-phenanthroline
SMILESc1ccc(-c2nc3c(c(-c4ccccc4)cc4cccnc43)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C36H24N2/c1-5-14-25(15-6-1)30-24-29-22-13-23-37-35(29)36-33(30)31(26-16-7-2-8-17-26)32(27-18-9-3-10-19-27)34(38-36)28-20-11-4-12-21-28/h1-24H
InChIKeyYAQZSCKQHADAPZ-UHFFFAOYSA-N
XLogP9.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 59.45
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-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,10-phenanthroline
CID 167363724
4,5,6,7-tetraphenyl-1,10-phenanthroline
CID 165388681
2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline
CID 175385817
10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline
CID 20606784
2,3-diphenyl-1,7-phenanthroline;terbium
CID 174908963
1-phenylpyreno[1,2-b]pyridine
CID 89296855
6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 147415127
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 152916568
8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394581
mercury;8-phenylquinoline;hydrate
CID 174770535
CID 159108391
CID 159108391
8-phenyl-6-propan-2-ylquinoline
CID 15295265

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetraphenyl-1,10-phenanthroline?
The IUPAC name of 2,3,4,5-tetraphenyl-1,10-phenanthroline (CID 126713568) is 2,3,4,5-tetraphenyl-1,10-phenanthroline.
What is the SMILES notation for 2,3,4,5-tetraphenyl-1,10-phenanthroline?
The canonical SMILES for 2,3,4,5-tetraphenyl-1,10-phenanthroline is c1ccc(-c2nc3c(c(-c4ccccc4)cc4cccnc43)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2,3,4,5-tetraphenyl-1,10-phenanthroline?
The InChIKey is YAQZSCKQHADAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2/c1-5-14-25(15-6-1)30-24-29-22-13-23-37-35(29)36-33(30)31(26-16-7-2-8-17-26)32(27-18-9-3-10-19-27)34(38-36)28-20-11-4-12-21-28/h1-24H.
What are the key properties of 2,3,4,5-tetraphenyl-1,10-phenanthroline?
2,3,4,5-tetraphenyl-1,10-phenanthroline has a molecular weight of 484.60 g/mol, XLogP of 9.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetraphenyl-1,10-phenanthroline is sourced from PubChem (CID 126713568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).