3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine

C41H27N — CID 90361582

IUPAC3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3cc(-c4ccc(-c5cccnc5)cc4)ccc23)cc1
InChIInChI=1S/C41H27N/c1-2-10-31(11-3-1)40-36-14-6-7-15-37(36)41(34-21-20-28-9-4-5-12-32(28)25-34)39-26-33(22-23-38(39)40)29-16-18-30(19-17-29)35-13-8-24-42-27-35/h1-27H
InChIKeyRHRVTGAIDHTIHX-UHFFFAOYSA-N
MW533.67 g/mol
LogP11.21
Rot. Bonds4

About 3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine

3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine (PubChem CID 90361582) has the molecular formula C41H27N and a molecular weight of 533.67 g/mol. Its IUPAC name is 3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
PubChem CID90361582
Molecular FormulaC41H27N
Molecular Weight533.67 g/mol
Exact Mass533.21
IUPAC Name3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3cc(-c4ccc(-c5cccnc5)cc4)ccc23)cc1
InChIInChI=1S/C41H27N/c1-2-10-31(11-3-1)40-36-14-6-7-15-37(36)41(34-21-20-28-9-4-5-12-32(28)25-34)39-26-33(22-23-38(39)40)29-16-18-30(19-17-29)35-13-8-24-42-27-35/h1-27H
InChIKeyRHRVTGAIDHTIHX-UHFFFAOYSA-N
XLogP11.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.67
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
CID 59182917
7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline
CID 59183030
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
10-(4-naphthalen-2-ylphenyl)-5-phenylbenzo[g]isoquinoline
CID 59183268
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine?
The IUPAC name of 3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine (CID 90361582) is 3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine.
What is the SMILES notation for 3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine?
The canonical SMILES for 3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine is c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3cc(-c4ccc(-c5cccnc5)cc4)ccc23)cc1.
What is the InChIKey of 3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine?
The InChIKey is RHRVTGAIDHTIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N/c1-2-10-31(11-3-1)40-36-14-6-7-15-37(36)41(34-21-20-28-9-4-5-12-32(28)25-34)39-26-33(22-23-38(39)40)29-16-18-30(19-17-29)35-13-8-24-42-27-35/h1-27H.
What are the key properties of 3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine?
3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine has a molecular weight of 533.67 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine is sourced from PubChem (CID 90361582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).