4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine

C48H36N2 — CID 166842304

IUPAC4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine
SMILESC1=Cc2c(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc(C4CC=C(c5ccccc5)C=N4)c3)cc3ccccc3c2CC1
InChIInChI=1S/C48H36N2/c1-4-14-33(15-5-1)37-24-25-46(49-32-37)41-27-38(26-40(28-41)45-29-36-20-10-11-21-42(36)43-22-12-13-23-44(43)45)39-30-47(34-16-6-2-7-17-34)50-48(31-39)35-18-8-3-9-19-35/h1-11,13-21,23-24,26-32,46H,12,22,25H2
InChIKeySITZINYZLAMXPX-UHFFFAOYSA-N
MW640.83 g/mol
LogP12.46
Rot. Bonds6

About 4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine

4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine (PubChem CID 166842304) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is 4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine
PubChem CID166842304
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC Name4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine
SMILESC1=Cc2c(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc(C4CC=C(c5ccccc5)C=N4)c3)cc3ccccc3c2CC1
InChIInChI=1S/C48H36N2/c1-4-14-33(15-5-1)37-24-25-46(49-32-37)41-27-38(26-40(28-41)45-29-36-20-10-11-21-42(36)43-22-12-13-23-44(43)45)39-30-47(34-16-6-2-7-17-34)50-48(31-39)35-18-8-3-9-19-35/h1-11,13-21,23-24,26-32,46H,12,22,25H2
InChIKeySITZINYZLAMXPX-UHFFFAOYSA-N
XLogP12.46
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine
CID 59428688
(5R)-5-[3-(5,6-dihydrophenanthren-9-yl)-5-(4,6-dimethyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-2,4-diphenyl-1,2-dihydropyrrol-5-amine
CID 130180968
2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine
CID 176622498
4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine
CID 166844371
9-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]phenyl]-3,4,5,6-tetrahydrocarbazole
CID 174246903
4-[3,5-di(phenanthren-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 89416703
2-[3-phenanthren-9-yl-5-(4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-4-phenylbenzo[h]quinazoline
CID 144968778
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene
CID 164717350
9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole
CID 144976799
4-[3-(2,3-dihydropyridin-2-yl)-5-(3-phenyl-2,3-dihydropyridin-6-yl)phenyl]-2,6-diphenylpyridine
CID 139419632
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine (CID 166842304) is 4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine is C1=Cc2c(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc(C4CC=C(c5ccccc5)C=N4)c3)cc3ccccc3c2CC1.
What is the InChIKey of 4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine?
The InChIKey is SITZINYZLAMXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-4-14-33(15-5-1)37-24-25-46(49-32-37)41-27-38(26-40(28-41)45-29-36-20-10-11-21-42(36)43-22-12-13-23-44(43)45)39-30-47(34-16-6-2-7-17-34)50-48(31-39)35-18-8-3-9-19-35/h1-11,13-21,23-24,26-32,46H,12,22,25H2.
What are the key properties of 4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine?
4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine has a molecular weight of 640.83 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 166842304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).