2-[5-methyl-6-[2-[3-[[2-(2-phenylethenyl)-6-quinazolin-2-yl-3-pyridinyl]methyl]phenyl]ethenyl]-4-[3-[2-(6-quinazolin-2-yl-2-pyridinyl)ethenyl]phenyl]-2-pyridinyl]quinazoline

C65H45N9 — CID 123828087

IUPAC2-[5-methyl-6-[2-[3-[[2-(2-phenylethenyl)-6-quinazolin-2-yl-3-pyridinyl]methyl]phenyl]ethenyl]-4-[3-[2-(6-quinazolin-2-yl-2-pyridinyl)ethenyl]phenyl]-2-pyridinyl]quinazoline
SMILESCc1c(-c2cccc(C=Cc3cccc(-c4ncc5ccccc5n4)n3)c2)cc(-c2ncc3ccccc3n2)nc1C=Cc1cccc(Cc2ccc(-c3ncc4ccccc4n3)nc2C=Cc2ccccc2)c1
InChIInChI=1S/C65H45N9/c1-43-54(48-22-12-17-46(37-48)28-32-53-23-13-27-60(69-53)63-66-40-50-19-5-8-24-56(50)72-63)39-62(65-68-42-52-21-7-10-26-58(52)74-65)70-55(43)33-30-45-16-11-18-47(36-45)38-49-31-35-61(64-67-41-51-20-6-9-25-57(51)73-64)71-59(49)34-29-44-14-3-2-4-15-44/h2-37,39-42H,38H2,1H3
InChIKeyHJJJXUBJIZQSDQ-UHFFFAOYSA-N
MW952.14 g/mol
LogP14.78
Rot. Bonds12

About 2-[5-methyl-6-[2-[3-[[2-(2-phenylethenyl)-6-quinazolin-2-yl-3-pyridinyl]methyl]phenyl]ethenyl]-4-[3-[2-(6-quinazolin-2-yl-2-pyridinyl)ethenyl]phenyl]-2-pyridinyl]quinazoline

2-[5-methyl-6-[2-[3-[[2-(2-phenylethenyl)-6-quinazolin-2-yl-3-pyridinyl]methyl]phenyl]ethenyl]-4-[3-[2-(6-quinazolin-2-yl-2-pyridinyl)ethenyl]phenyl]-2-pyridinyl]quinazoline (PubChem CID 123828087) has the molecular formula C65H45N9 and a molecular weight of 952.14 g/mol. Its IUPAC name is 2-[5-methyl-6-[2-[3-[[2-(2-phenylethenyl)-6-quinazolin-2-yl-3-pyridinyl]methyl]phenyl]ethenyl]-4-[3-[2-(6-quinazolin-2-yl-2-pyridinyl)ethenyl]phenyl]-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[5-methyl-6-[2-[3-[[2-(2-phenylethenyl)-6-quinazolin-2-yl-3-pyridinyl]methyl]phenyl]ethenyl]-4-[3-[2-(6-quinazolin-2-yl-2-pyridinyl)ethenyl]phenyl]-2-pyridinyl]quinazoline
PubChem CID123828087
Molecular FormulaC65H45N9
Molecular Weight952.14 g/mol
Exact Mass951.38
IUPAC Name2-[5-methyl-6-[2-[3-[[2-(2-phenylethenyl)-6-quinazolin-2-yl-3-pyridinyl]methyl]phenyl]ethenyl]-4-[3-[2-(6-quinazolin-2-yl-2-pyridinyl)ethenyl]phenyl]-2-pyridinyl]quinazoline
SMILESCc1c(-c2cccc(C=Cc3cccc(-c4ncc5ccccc5n4)n3)c2)cc(-c2ncc3ccccc3n2)nc1C=Cc1cccc(Cc2ccc(-c3ncc4ccccc4n3)nc2C=Cc2ccccc2)c1
InChIInChI=1S/C65H45N9/c1-43-54(48-22-12-17-46(37-48)28-32-53-23-13-27-60(69-53)63-66-40-50-19-5-8-24-56(50)72-63)39-62(65-68-42-52-21-7-10-26-58(52)74-65)70-55(43)33-30-45-16-11-18-47(36-45)38-49-31-35-61(64-67-41-51-20-6-9-25-57(51)73-64)71-59(49)34-29-44-14-3-2-4-15-44/h2-37,39-42H,38H2,1H3
InChIKeyHJJJXUBJIZQSDQ-UHFFFAOYSA-N
XLogP14.78
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.14
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[5-methyl-6-[2-[3-[[2-(2-phenylethenyl)-6-quinazolin-2-yl-3-pyridinyl]methyl]phenyl]ethenyl]-4-[3-[2-(6-quinazolin-2-yl-2-pyridinyl)ethenyl]phenyl]-2-pyridinyl]quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-[2-[3-[[2-(2-phenylethenyl)-6-quinazolin-2-yl-3-pyridinyl]methyl]phenyl]ethenyl]-4-[3-[2-(6-quinazolin-2-yl-2-pyridinyl)ethenyl]phenyl]-2-pyridinyl]quinazoline?
The IUPAC name of 2-[5-methyl-6-[2-[3-[[2-(2-phenylethenyl)-6-quinazolin-2-yl-3-pyridinyl]methyl]phenyl]ethenyl]-4-[3-[2-(6-quinazolin-2-yl-2-pyridinyl)ethenyl]phenyl]-2-pyridinyl]quinazoline (CID 123828087) is 2-[5-methyl-6-[2-[3-[[2-(2-phenylethenyl)-6-quinazolin-2-yl-3-pyridinyl]methyl]phenyl]ethenyl]-4-[3-[2-(6-quinazolin-2-yl-2-pyridinyl)ethenyl]phenyl]-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[5-methyl-6-[2-[3-[[2-(2-phenylethenyl)-6-quinazolin-2-yl-3-pyridinyl]methyl]phenyl]ethenyl]-4-[3-[2-(6-quinazolin-2-yl-2-pyridinyl)ethenyl]phenyl]-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[5-methyl-6-[2-[3-[[2-(2-phenylethenyl)-6-quinazolin-2-yl-3-pyridinyl]methyl]phenyl]ethenyl]-4-[3-[2-(6-quinazolin-2-yl-2-pyridinyl)ethenyl]phenyl]-2-pyridinyl]quinazoline is Cc1c(-c2cccc(C=Cc3cccc(-c4ncc5ccccc5n4)n3)c2)cc(-c2ncc3ccccc3n2)nc1C=Cc1cccc(Cc2ccc(-c3ncc4ccccc4n3)nc2C=Cc2ccccc2)c1.
What is the InChIKey of 2-[5-methyl-6-[2-[3-[[2-(2-phenylethenyl)-6-quinazolin-2-yl-3-pyridinyl]methyl]phenyl]ethenyl]-4-[3-[2-(6-quinazolin-2-yl-2-pyridinyl)ethenyl]phenyl]-2-pyridinyl]quinazoline?
The InChIKey is HJJJXUBJIZQSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N9/c1-43-54(48-22-12-17-46(37-48)28-32-53-23-13-27-60(69-53)63-66-40-50-19-5-8-24-56(50)72-63)39-62(65-68-42-52-21-7-10-26-58(52)74-65)70-55(43)33-30-45-16-11-18-47(36-45)38-49-31-35-61(64-67-41-51-20-6-9-25-57(51)73-64)71-59(49)34-29-44-14-3-2-4-15-44/h2-37,39-42H,38H2,1H3.
What are the key properties of 2-[5-methyl-6-[2-[3-[[2-(2-phenylethenyl)-6-quinazolin-2-yl-3-pyridinyl]methyl]phenyl]ethenyl]-4-[3-[2-(6-quinazolin-2-yl-2-pyridinyl)ethenyl]phenyl]-2-pyridinyl]quinazoline?
2-[5-methyl-6-[2-[3-[[2-(2-phenylethenyl)-6-quinazolin-2-yl-3-pyridinyl]methyl]phenyl]ethenyl]-4-[3-[2-(6-quinazolin-2-yl-2-pyridinyl)ethenyl]phenyl]-2-pyridinyl]quinazoline has a molecular weight of 952.14 g/mol, XLogP of 14.78, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-[2-[3-[[2-(2-phenylethenyl)-6-quinazolin-2-yl-3-pyridinyl]methyl]phenyl]ethenyl]-4-[3-[2-(6-quinazolin-2-yl-2-pyridinyl)ethenyl]phenyl]-2-pyridinyl]quinazoline is sourced from PubChem (CID 123828087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).