4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine

C43H34N2 — CID 130180936

IUPAC4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine
SMILESCC1=CC=C(c2cc(C3=CC(c4ccccc4)NC(c4ccccc4)=C3)cc(-c3cc4ccccc4c4ccccc34)c2)NC1
InChIInChI=1S/C43H34N2/c1-29-20-21-41(44-28-29)36-23-33(22-35(24-36)40-25-32-16-8-9-17-37(32)38-18-10-11-19-39(38)40)34-26-42(30-12-4-2-5-13-30)45-43(27-34)31-14-6-3-7-15-31/h2-27,42,44-45H,28H2,1H3
InChIKeyQUGPLIDXPIZFOH-UHFFFAOYSA-N
MW578.76 g/mol
LogP10.32
Rot. Bonds5

About 4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine

4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine (PubChem CID 130180936) has the molecular formula C43H34N2 and a molecular weight of 578.76 g/mol. Its IUPAC name is 4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine.

Molecular Properties

Compound Name4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine
PubChem CID130180936
Molecular FormulaC43H34N2
Molecular Weight578.76 g/mol
Exact Mass578.27
IUPAC Name4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine
SMILESCC1=CC=C(c2cc(C3=CC(c4ccccc4)NC(c4ccccc4)=C3)cc(-c3cc4ccccc4c4ccccc34)c2)NC1
InChIInChI=1S/C43H34N2/c1-29-20-21-41(44-28-29)36-23-33(22-35(24-36)40-25-32-16-8-9-17-37(32)38-18-10-11-19-39(38)40)34-26-42(30-12-4-2-5-13-30)45-43(27-34)31-14-6-3-7-15-31/h2-27,42,44-45H,28H2,1H3
InChIKeyQUGPLIDXPIZFOH-UHFFFAOYSA-N
XLogP10.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 510.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline
CID 121441241
6-[9-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 118587049
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,2-dihydropyridine
CID 145212320
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
9-(3-methyl-5-phenylphenyl)phenanthrene
CID 156682596
4-[4-[8-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]-2,6-diphenylpyridine
CID 130440147
9-[3-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135163040
N'-[[1-[8-[4-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]naphthalen-2-yl]ethylamino]-phenylmethyl]-1-phenylmethanediamine
CID 134444955
3-[3,5-di(phenanthren-9-yl)phenyl]-2-phenanthren-9-yl-4-phenyl-1,2-dihydro-1,3-diazet-3-ium
CID 145377778
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine
CID 59428688
2,6-diphenyl-4-(4-phenylnaphthalen-2-yl)-1,2-dihydropyrimidine
CID 174321754
4-[3-[3-[3-[3-[3-(1,2-dihydropyridin-4-yl)phenyl]phenyl]-5-phenanthren-9-ylphenyl]phenyl]cyclohexa-1,5-dien-1-yl]pyridine
CID 155116800

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine?
The IUPAC name of 4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine (CID 130180936) is 4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine.
What is the SMILES notation for 4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine?
The canonical SMILES for 4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine is CC1=CC=C(c2cc(C3=CC(c4ccccc4)NC(c4ccccc4)=C3)cc(-c3cc4ccccc4c4ccccc34)c2)NC1.
What is the InChIKey of 4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine?
The InChIKey is QUGPLIDXPIZFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2/c1-29-20-21-41(44-28-29)36-23-33(22-35(24-36)40-25-32-16-8-9-17-37(32)38-18-10-11-19-39(38)40)34-26-42(30-12-4-2-5-13-30)45-43(27-34)31-14-6-3-7-15-31/h2-27,42,44-45H,28H2,1H3.
What are the key properties of 4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine?
4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine has a molecular weight of 578.76 g/mol, XLogP of 10.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine is sourced from PubChem (CID 130180936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).