2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine

C47H31N — CID 163947785

IUPAC2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc(-c4cccc(-c5ccnc(-c6cccc7ccccc67)c5)c4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C47H31N/c1-2-12-32(13-3-1)38-24-26-44(42-21-8-6-19-40(38)42)45-27-25-39(41-20-7-9-22-43(41)45)36-17-10-16-34(30-36)35-28-29-48-47(31-35)46-23-11-15-33-14-4-5-18-37(33)46/h1-31H
InChIKeyRWQWKRVZGKGZFL-UHFFFAOYSA-N
MW609.77 g/mol
LogP12.88
Rot. Bonds5

About 2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine

2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine (PubChem CID 163947785) has the molecular formula C47H31N and a molecular weight of 609.77 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine
PubChem CID163947785
Molecular FormulaC47H31N
Molecular Weight609.77 g/mol
Exact Mass609.25
IUPAC Name2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc(-c4cccc(-c5ccnc(-c6cccc7ccccc67)c5)c4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C47H31N/c1-2-12-32(13-3-1)38-24-26-44(42-21-8-6-19-40(38)42)45-27-25-39(41-20-7-9-22-43(41)45)36-17-10-16-34(30-36)35-28-29-48-47(31-35)46-23-11-15-33-14-4-5-18-37(33)46/h1-31H
InChIKeyRWQWKRVZGKGZFL-UHFFFAOYSA-N
XLogP12.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.77
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-naphthalen-1-yl-4-naphthalen-2-ylpyridine
CID 144888160
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 177076674
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
CID 118901430
4-methyl-2-naphthalen-1-ylpyridine
CID 13433020
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161312431
9-naphthalen-1-yl-10-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(4-phenylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159990389
4-(3-naphthalen-1-ylphenyl)pyrimidine
CID 156551175
4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]pyridine
CID 71174823

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine?
The IUPAC name of 2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine (CID 163947785) is 2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine.
What is the SMILES notation for 2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine?
The canonical SMILES for 2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine is c1ccc(-c2ccc(-c3ccc(-c4cccc(-c5ccnc(-c6cccc7ccccc67)c5)c4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine?
The InChIKey is RWQWKRVZGKGZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N/c1-2-12-32(13-3-1)38-24-26-44(42-21-8-6-19-40(38)42)45-27-25-39(41-20-7-9-22-43(41)45)36-17-10-16-34(30-36)35-28-29-48-47(31-35)46-23-11-15-33-14-4-5-18-37(33)46/h1-31H.
What are the key properties of 2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine?
2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine has a molecular weight of 609.77 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine is sourced from PubChem (CID 163947785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).