4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine

C49H31N — CID 88868967

IUPAC4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine
SMILESc1ccc2c(c1)ccc1c3ccccc3c(-c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccncc6)c6ccccc56)cc4)cc3)cc21
InChIInChI=1S/C49H31N/c1-2-10-38-34(9-1)25-26-41-39-11-3-4-12-40(39)46(31-47(38)41)35-21-17-32(18-22-35)33-19-23-36(24-20-33)48-42-13-5-7-15-44(42)49(37-27-29-50-30-28-37)45-16-8-6-14-43(45)48/h1-31H
InChIKeySZTKZFIGCIAHIK-UHFFFAOYSA-N
MW633.79 g/mol
LogP13.52
Rot. Bonds4

About 4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine

4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine (PubChem CID 88868967) has the molecular formula C49H31N and a molecular weight of 633.79 g/mol. Its IUPAC name is 4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine.

Molecular Properties

Compound Name4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine
PubChem CID88868967
Molecular FormulaC49H31N
Molecular Weight633.79 g/mol
Exact Mass633.25
IUPAC Name4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine
SMILESc1ccc2c(c1)ccc1c3ccccc3c(-c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccncc6)c6ccccc56)cc4)cc3)cc21
InChIInChI=1S/C49H31N/c1-2-10-38-34(9-1)25-26-41-39-11-3-4-12-40(39)46(31-47(38)41)35-21-17-32(18-22-35)33-19-23-36(24-20-33)48-42-13-5-7-15-44(42)49(37-27-29-50-30-28-37)45-16-8-6-14-43(45)48/h1-31H
InChIKeySZTKZFIGCIAHIK-UHFFFAOYSA-N
XLogP13.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.79
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
CID 59583053
6-(10-phenylanthracen-9-yl)chrysene
CID 123188642
2-(4-benzo[a]anthracen-7-ylphenyl)-4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130265141
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
4-(10-naphthalen-1-ylanthracen-9-yl)pyridine
CID 89341882
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene
CID 140792190
4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 89001182
4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568828
4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
CID 88554433
4-[10-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)anthracen-9-yl]pyridine
CID 167411574

Frequently Asked Questions

What is the IUPAC name of 4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine?
The IUPAC name of 4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine (CID 88868967) is 4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine.
What is the SMILES notation for 4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine?
The canonical SMILES for 4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine is c1ccc2c(c1)ccc1c3ccccc3c(-c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccncc6)c6ccccc56)cc4)cc3)cc21.
What is the InChIKey of 4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine?
The InChIKey is SZTKZFIGCIAHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N/c1-2-10-38-34(9-1)25-26-41-39-11-3-4-12-40(39)46(31-47(38)41)35-21-17-32(18-22-35)33-19-23-36(24-20-33)48-42-13-5-7-15-44(42)49(37-27-29-50-30-28-37)45-16-8-6-14-43(45)48/h1-31H.
What are the key properties of 4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine?
4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine has a molecular weight of 633.79 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[4-(4-chrysen-6-ylphenyl)phenyl]anthracen-9-yl]pyridine is sourced from PubChem (CID 88868967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).