5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine

C65H46N2O2 — CID 153299346

IUPAC5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine
SMILESCC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7cnccc76)cc5)cc4)c4ccccc4-c4cnccc43)ccc2c1
InChIInChI=1S/C65H46N2O2/c1-3-5-35-68-54-29-21-46-38-52(27-19-48(46)40-54)64(60-13-9-7-11-56(60)58-42-66-33-31-62(58)64)50-23-15-44(16-24-50)37-45-17-25-51(26-18-45)65(61-14-10-8-12-57(61)59-43-67-34-32-63(59)65)53-28-20-49-41-55(69-36-6-4-2)30-22-47(49)39-53/h7-34,38-43H,35-37H2,1-2H3
InChIKeyCVHSFJOYGOYDGQ-UHFFFAOYSA-N
MW887.09 g/mol
LogP13.90
Rot. Bonds10

About 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine

5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine (PubChem CID 153299346) has the molecular formula C65H46N2O2 and a molecular weight of 887.09 g/mol. Its IUPAC name is 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine.

Molecular Properties

Compound Name5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine
PubChem CID153299346
Molecular FormulaC65H46N2O2
Molecular Weight887.09 g/mol
Exact Mass886.36
IUPAC Name5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine
SMILESCC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7cnccc76)cc5)cc4)c4ccccc4-c4cnccc43)ccc2c1
InChIInChI=1S/C65H46N2O2/c1-3-5-35-68-54-29-21-46-38-52(27-19-48(46)40-54)64(60-13-9-7-11-56(60)58-42-66-33-31-62(58)64)50-23-15-44(16-24-50)37-45-17-25-51(26-18-45)65(61-14-10-8-12-57(61)59-43-67-34-32-63(59)65)53-28-20-49-41-55(69-36-6-4-2)30-22-47(49)39-53/h7-34,38-43H,35-37H2,1-2H3
InChIKeyCVHSFJOYGOYDGQ-UHFFFAOYSA-N
XLogP13.90
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.09
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine?
The IUPAC name of 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine (CID 153299346) is 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine.
What is the SMILES notation for 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine?
The canonical SMILES for 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine is CC#CCOc1ccc2cc(C3(c4ccc(Cc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7-c7cnccc76)cc5)cc4)c4ccccc4-c4cnccc43)ccc2c1.
What is the InChIKey of 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine?
The InChIKey is CVHSFJOYGOYDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N2O2/c1-3-5-35-68-54-29-21-46-38-52(27-19-48(46)40-54)64(60-13-9-7-11-56(60)58-42-66-33-31-62(58)64)50-23-15-44(16-24-50)37-45-17-25-51(26-18-45)65(61-14-10-8-12-57(61)59-43-67-34-32-63(59)65)53-28-20-49-41-55(69-36-6-4-2)30-22-47(49)39-53/h7-34,38-43H,35-37H2,1-2H3.
What are the key properties of 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine?
5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine has a molecular weight of 887.09 g/mol, XLogP of 13.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenyl]methyl]phenyl]indeno[1,2-c]pyridine is sourced from PubChem (CID 153299346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).