4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine

C38H24N2 — CID 90361727

IUPAC4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccncn5)ccc34)ccc2c1
InChIInChI=1S/C38H24N2/c1-3-9-27-21-30(15-13-25(27)7-1)37-32-11-5-6-12-33(32)38(31-16-14-26-8-2-4-10-28(26)22-31)35-23-29(17-18-34(35)37)36-19-20-39-24-40-36/h1-24H
InChIKeyNLAZLCDNRBLTPL-UHFFFAOYSA-N
MW508.62 g/mol
LogP10.09
Rot. Bonds3

About 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine

4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine (PubChem CID 90361727) has the molecular formula C38H24N2 and a molecular weight of 508.62 g/mol. Its IUPAC name is 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine.

Molecular Properties

Compound Name4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine
PubChem CID90361727
Molecular FormulaC38H24N2
Molecular Weight508.62 g/mol
Exact Mass508.19
IUPAC Name4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccncn5)ccc34)ccc2c1
InChIInChI=1S/C38H24N2/c1-3-9-27-21-30(15-13-25(27)7-1)37-32-11-5-6-12-33(32)38(31-16-14-26-8-2-4-10-28(26)22-31)35-23-29(17-18-34(35)37)36-19-20-39-24-40-36/h1-24H
InChIKeyNLAZLCDNRBLTPL-UHFFFAOYSA-N
XLogP10.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine
CID 59722147
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine
CID 90361387
5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine
CID 88897339
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
CID 90361384
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
CID 59182917
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
8-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-5-phenylpyrido[4,3-b]indole
CID 118968803
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline
CID 90361383
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428

Frequently Asked Questions

What is the IUPAC name of 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine?
The IUPAC name of 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine (CID 90361727) is 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine.
What is the SMILES notation for 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine?
The canonical SMILES for 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine is c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccncn5)ccc34)ccc2c1.
What is the InChIKey of 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine?
The InChIKey is NLAZLCDNRBLTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2/c1-3-9-27-21-30(15-13-25(27)7-1)37-32-11-5-6-12-33(32)38(31-16-14-26-8-2-4-10-28(26)22-31)35-23-29(17-18-34(35)37)36-19-20-39-24-40-36/h1-24H.
What are the key properties of 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine?
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine has a molecular weight of 508.62 g/mol, XLogP of 10.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine is sourced from PubChem (CID 90361727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).