2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine

C47H31N3 — CID 150445495

IUPAC2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine
SMILESc1ccc(-c2cccnc2-c2cc3cc4ccccc4cc3c(-c3ncccc3-c3ccccc3)c2-c2ncccc2-c2ccccc2)cc1
InChIInChI=1S/C47H31N3/c1-4-15-32(16-5-1)38-23-12-26-48-45(38)42-31-37-29-35-21-10-11-22-36(35)30-41(37)43(46-39(24-13-27-49-46)33-17-6-2-7-18-33)44(42)47-40(25-14-28-50-47)34-19-8-3-9-20-34/h1-31H
InChIKeyHMRCYVWYPRZKHK-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.18
Rot. Bonds6

About 2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine

2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine (PubChem CID 150445495) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine.

Molecular Properties

Compound Name2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine
PubChem CID150445495
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine
SMILESc1ccc(-c2cccnc2-c2cc3cc4ccccc4cc3c(-c3ncccc3-c3ccccc3)c2-c2ncccc2-c2ccccc2)cc1
InChIInChI=1S/C47H31N3/c1-4-15-32(16-5-1)38-23-12-26-48-45(38)42-31-37-29-35-21-10-11-22-36(35)30-41(37)43(46-39(24-13-27-49-46)33-17-6-2-7-18-33)44(42)47-40(25-14-28-50-47)34-19-8-3-9-20-34/h1-31H
InChIKeyHMRCYVWYPRZKHK-UHFFFAOYSA-N
XLogP12.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
CID 173204164
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylpyridine
CID 90361507
2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine
CID 151524668
2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine
CID 87436583
2-(3-phenyl-2-pyridinyl)pyrimidine
CID 67877581
2,3-dinaphthalen-1-yl-1-phenylanthracene
CID 151512335
2-phenyl-3-[2-[2-(2-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 58947757
2,4-bis(4-phenylphenyl)-6-[4-(3-phenyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 156692460
2-(3-isocyanophenyl)-3-phenylpyridine
CID 168821758
3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene
CID 175097557
1-(2-phenylphenyl)anthracene
CID 21435778
hydron;1-phenylanthracene
CID 174351162

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine?
The IUPAC name of 2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine (CID 150445495) is 2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine.
What is the SMILES notation for 2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine?
The canonical SMILES for 2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine is c1ccc(-c2cccnc2-c2cc3cc4ccccc4cc3c(-c3ncccc3-c3ccccc3)c2-c2ncccc2-c2ccccc2)cc1.
What is the InChIKey of 2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine?
The InChIKey is HMRCYVWYPRZKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-4-15-32(16-5-1)38-23-12-26-48-45(38)42-31-37-29-35-21-10-11-22-36(35)30-41(37)43(46-39(24-13-27-49-46)33-17-6-2-7-18-33)44(42)47-40(25-14-28-50-47)34-19-8-3-9-20-34/h1-31H.
What are the key properties of 2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine?
2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine has a molecular weight of 637.79 g/mol, XLogP of 12.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine is sourced from PubChem (CID 150445495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).