2-phenyl-9-(10-phenyl-6-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline

C42H26N4 — CID 146548687

IUPAC2-phenyl-9-(10-phenyl-6-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6nc(-c7ccncc7)c7cccc(-c8ccccc8)c7c6c5)nc4c3n2)cc1
InChIInChI=1S/C42H26N4/c1-3-8-27(9-4-1)33-12-7-13-34-39(33)35-26-32(18-21-38(35)46-40(34)31-22-24-43-25-23-31)37-20-17-30-15-14-29-16-19-36(28-10-5-2-6-11-28)44-41(29)42(30)45-37/h1-26H
InChIKeyJHNUBPCUBPRQLB-UHFFFAOYSA-N
MW586.70 g/mol
LogP10.55
Rot. Bonds4

About 2-phenyl-9-(10-phenyl-6-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline

2-phenyl-9-(10-phenyl-6-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline (PubChem CID 146548687) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 2-phenyl-9-(10-phenyl-6-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-9-(10-phenyl-6-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline
PubChem CID146548687
Molecular FormulaC42H26N4
Molecular Weight586.70 g/mol
Exact Mass586.22
IUPAC Name2-phenyl-9-(10-phenyl-6-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6nc(-c7ccncc7)c7cccc(-c8ccccc8)c7c6c5)nc4c3n2)cc1
InChIInChI=1S/C42H26N4/c1-3-8-27(9-4-1)33-12-7-13-34-39(33)35-26-32(18-21-38(35)46-40(34)31-22-24-43-25-23-31)37-20-17-30-15-14-29-16-19-36(28-10-5-2-6-11-28)44-41(29)42(30)45-37/h1-26H
InChIKeyJHNUBPCUBPRQLB-UHFFFAOYSA-N
XLogP10.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.70
LogP ≤ 510.55
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-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline
CID 146548655
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-(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-phenyl-9-[4-(6-pyridin-3-ylphenanthridin-10-yl)phenyl]-1,10-phenanthroline
CID 146548238
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-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548632
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-pyridin-3-ylphenanthridine
CID 146549250
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-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026
10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine
CID 146549133
2-[3-(6,10-diphenylphenanthridin-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 159184433

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-(10-phenyl-6-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline?
The IUPAC name of 2-phenyl-9-(10-phenyl-6-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline (CID 146548687) is 2-phenyl-9-(10-phenyl-6-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-9-(10-phenyl-6-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-9-(10-phenyl-6-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc6nc(-c7ccncc7)c7cccc(-c8ccccc8)c7c6c5)nc4c3n2)cc1.
What is the InChIKey of 2-phenyl-9-(10-phenyl-6-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline?
The InChIKey is JHNUBPCUBPRQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c1-3-8-27(9-4-1)33-12-7-13-34-39(33)35-26-32(18-21-38(35)46-40(34)31-22-24-43-25-23-31)37-20-17-30-15-14-29-16-19-36(28-10-5-2-6-11-28)44-41(29)42(30)45-37/h1-26H.
What are the key properties of 2-phenyl-9-(10-phenyl-6-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline?
2-phenyl-9-(10-phenyl-6-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline has a molecular weight of 586.70 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-(10-phenyl-6-pyridin-4-ylphenanthridin-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 146548687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).