2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine

C45H29N — CID 90361384

IUPAC2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
SMILESc1ccc(-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc2)cc1
InChIInChI=1S/C45H29N/c1-2-10-30(11-3-1)38-23-25-43(46-29-38)35-22-24-41-42(28-35)45(37-21-19-32-13-5-7-15-34(32)27-37)40-17-9-8-16-39(40)44(41)36-20-18-31-12-4-6-14-33(31)26-36/h1-29H
InChIKeyLYBVTGKIXGEUHF-UHFFFAOYSA-N
MW583.73 g/mol
LogP12.36
Rot. Bonds4

About 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine

2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine (PubChem CID 90361384) has the molecular formula C45H29N and a molecular weight of 583.73 g/mol. Its IUPAC name is 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine.

Molecular Properties

Compound Name2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
PubChem CID90361384
Molecular FormulaC45H29N
Molecular Weight583.73 g/mol
Exact Mass583.23
IUPAC Name2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
SMILESc1ccc(-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc2)cc1
InChIInChI=1S/C45H29N/c1-2-10-30(11-3-1)38-23-25-43(46-29-38)35-22-24-41-42(28-35)45(37-21-19-32-13-5-7-15-34(32)27-37)40-17-9-8-16-39(40)44(41)36-20-18-31-12-4-6-14-33(31)26-36/h1-29H
InChIKeyLYBVTGKIXGEUHF-UHFFFAOYSA-N
XLogP12.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.73
LogP ≤ 512.36
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

2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865
2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
CID 89491882
5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine
CID 89023620
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
6-[5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridinyl]phenanthridine
CID 176819007
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
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
4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine
CID 90361557
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606

Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine?
The IUPAC name of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine (CID 90361384) is 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine.
What is the SMILES notation for 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine?
The canonical SMILES for 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine is c1ccc(-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc2)cc1.
What is the InChIKey of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine?
The InChIKey is LYBVTGKIXGEUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N/c1-2-10-30(11-3-1)38-23-25-43(46-29-38)35-22-24-41-42(28-35)45(37-21-19-32-13-5-7-15-34(32)27-37)40-17-9-8-16-39(40)44(41)36-20-18-31-12-4-6-14-33(31)26-36/h1-29H.
What are the key properties of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine?
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine has a molecular weight of 583.73 g/mol, XLogP of 12.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine is sourced from PubChem (CID 90361384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).