6-[6-[4-[10-[4-(6-methyl-2-pyridinyl)phenyl]anthracen-9-yl]phenyl]-2-pyridinyl]benzimidazolo[1,2-c]quinazoline

C51H33N5 — CID 58894914

IUPAC6-[6-[4-[10-[4-(6-methyl-2-pyridinyl)phenyl]anthracen-9-yl]phenyl]-2-pyridinyl]benzimidazolo[1,2-c]quinazoline
SMILESCc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc(-c6nc7ccccc7c7nc8ccccc8n67)n5)cc4)c4ccccc34)cc2)n1
InChIInChI=1S/C51H33N5/c1-32-12-10-20-42(52-32)33-24-28-35(29-25-33)48-37-13-2-4-15-39(37)49(40-16-5-3-14-38(40)48)36-30-26-34(27-31-36)43-21-11-22-46(53-43)51-54-44-18-7-6-17-41(44)50-55-45-19-8-9-23-47(45)56(50)51/h2-31H,1H3
InChIKeyOLSSQPVWHNAXAW-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.78
Rot. Bonds5

About 6-[6-[4-[10-[4-(6-methyl-2-pyridinyl)phenyl]anthracen-9-yl]phenyl]-2-pyridinyl]benzimidazolo[1,2-c]quinazoline

6-[6-[4-[10-[4-(6-methyl-2-pyridinyl)phenyl]anthracen-9-yl]phenyl]-2-pyridinyl]benzimidazolo[1,2-c]quinazoline (PubChem CID 58894914) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 6-[6-[4-[10-[4-(6-methyl-2-pyridinyl)phenyl]anthracen-9-yl]phenyl]-2-pyridinyl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[6-[4-[10-[4-(6-methyl-2-pyridinyl)phenyl]anthracen-9-yl]phenyl]-2-pyridinyl]benzimidazolo[1,2-c]quinazoline
PubChem CID58894914
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name6-[6-[4-[10-[4-(6-methyl-2-pyridinyl)phenyl]anthracen-9-yl]phenyl]-2-pyridinyl]benzimidazolo[1,2-c]quinazoline
SMILESCc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc(-c6nc7ccccc7c7nc8ccccc8n67)n5)cc4)c4ccccc34)cc2)n1
InChIInChI=1S/C51H33N5/c1-32-12-10-20-42(52-32)33-24-28-35(29-25-33)48-37-13-2-4-15-39(37)49(40-16-5-3-14-38(40)48)36-30-26-34(27-31-36)43-21-11-22-46(53-43)51-54-44-18-7-6-17-41(44)50-55-45-19-8-9-23-47(45)56(50)51/h2-31H,1H3
InChIKeyOLSSQPVWHNAXAW-UHFFFAOYSA-N
XLogP12.78
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[4-[10-[4-(6-methyl-2-pyridinyl)phenyl]anthracen-9-yl]phenyl]-2-pyridinyl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[6-[4-[10-[4-(6-methyl-2-pyridinyl)phenyl]anthracen-9-yl]phenyl]-2-pyridinyl]benzimidazolo[1,2-c]quinazoline (CID 58894914) is 6-[6-[4-[10-[4-(6-methyl-2-pyridinyl)phenyl]anthracen-9-yl]phenyl]-2-pyridinyl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[6-[4-[10-[4-(6-methyl-2-pyridinyl)phenyl]anthracen-9-yl]phenyl]-2-pyridinyl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[6-[4-[10-[4-(6-methyl-2-pyridinyl)phenyl]anthracen-9-yl]phenyl]-2-pyridinyl]benzimidazolo[1,2-c]quinazoline is Cc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc(-c6nc7ccccc7c7nc8ccccc8n67)n5)cc4)c4ccccc34)cc2)n1.
What is the InChIKey of 6-[6-[4-[10-[4-(6-methyl-2-pyridinyl)phenyl]anthracen-9-yl]phenyl]-2-pyridinyl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is OLSSQPVWHNAXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-32-12-10-20-42(52-32)33-24-28-35(29-25-33)48-37-13-2-4-15-39(37)49(40-16-5-3-14-38(40)48)36-30-26-34(27-31-36)43-21-11-22-46(53-43)51-54-44-18-7-6-17-41(44)50-55-45-19-8-9-23-47(45)56(50)51/h2-31H,1H3.
What are the key properties of 6-[6-[4-[10-[4-(6-methyl-2-pyridinyl)phenyl]anthracen-9-yl]phenyl]-2-pyridinyl]benzimidazolo[1,2-c]quinazoline?
6-[6-[4-[10-[4-(6-methyl-2-pyridinyl)phenyl]anthracen-9-yl]phenyl]-2-pyridinyl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 715.86 g/mol, XLogP of 12.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[4-[10-[4-(6-methyl-2-pyridinyl)phenyl]anthracen-9-yl]phenyl]-2-pyridinyl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 58894914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).