2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine

C63H47N3 — CID 165148204

IUPAC2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine
SMILESc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccc5c(ccc6ccccc65)c4)c3)cc2)nc1
InChIInChI=1S/C63H47N3/c1-2-12-55-48(11-1)30-31-51-42-52(32-34-57(51)55)60-43-53(63-17-7-10-38-66-63)33-35-59(60)58-14-4-3-13-56(58)54-40-46(20-18-44-22-26-49(27-23-44)61-15-5-8-36-64-61)39-47(41-54)21-19-45-24-28-50(29-25-45)62-16-6-9-37-65-62/h1-17,22-43H,18-21H2
InChIKeyBALWKIUCCOBHFQ-UHFFFAOYSA-N
MW846.09 g/mol
LogP15.75
Rot. Bonds12

About 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine (PubChem CID 165148204) has the molecular formula C63H47N3 and a molecular weight of 846.09 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine
PubChem CID165148204
Molecular FormulaC63H47N3
Molecular Weight846.09 g/mol
Exact Mass845.38
IUPAC Name2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine
SMILESc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccc5c(ccc6ccccc65)c4)c3)cc2)nc1
InChIInChI=1S/C63H47N3/c1-2-12-55-48(11-1)30-31-51-42-52(32-34-57(51)55)60-43-53(63-17-7-10-38-66-63)33-35-59(60)58-14-4-3-13-56(58)54-40-46(20-18-44-22-26-49(27-23-44)61-15-5-8-36-64-61)39-47(41-54)21-19-45-24-28-50(29-25-45)62-16-6-9-37-65-62/h1-17,22-43H,18-21H2
InChIKeyBALWKIUCCOBHFQ-UHFFFAOYSA-N
XLogP15.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.09
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]-5-methylpyridine
CID 153458455
2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol
CID 165149477
2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine
CID 165149243
1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole
CID 165149239
4-(trideuteriomethyl)-2-[4-[2-[3-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]-2-triphenylen-2-ylphenyl]phenyl]phenyl]ethyl]phenyl]pyridine
CID 165149274
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline
CID 153458153
2-[4-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-bromophenyl]pyridine
CID 165148641
2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]-5-methylpyridine
CID 166565370
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine
CID 176729025
2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine
CID 171448310
10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine
CID 165148988

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine (CID 165148204) is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine is c1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccc5c(ccc6ccccc65)c4)c3)cc2)nc1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine?
The InChIKey is BALWKIUCCOBHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H47N3/c1-2-12-55-48(11-1)30-31-51-42-52(32-34-57(51)55)60-43-53(63-17-7-10-38-66-63)33-35-59(60)58-14-4-3-13-56(58)54-40-46(20-18-44-22-26-49(27-23-44)61-15-5-8-36-64-61)39-47(41-54)21-19-45-24-28-50(29-25-45)62-16-6-9-37-65-62/h1-17,22-43H,18-21H2.
What are the key properties of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine?
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine has a molecular weight of 846.09 g/mol, XLogP of 15.75, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine is sourced from PubChem (CID 165148204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).