2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]phenyl]quinazoline

C74H48N6 — CID 121311724

IUPAC2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]phenyl]quinazoline
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)c4)c3)nc(-c3cccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)c4)c3)n2)cc1
InChIInChI=1S/C74H48N6/c1-4-18-51(19-5-1)68-48-69(62-30-16-28-60(46-62)58-26-14-24-56(44-58)49-36-40-52(41-37-49)70-64-32-10-12-34-66(64)75-72(79-70)54-20-6-2-7-21-54)78-74(77-68)63-31-17-29-61(47-63)59-27-15-25-57(45-59)50-38-42-53(43-39-50)71-65-33-11-13-35-67(65)76-73(80-71)55-22-8-3-9-23-55/h1-48H
InChIKeyNRFPEOQURMQZMU-UHFFFAOYSA-N
MW1021.24 g/mol
LogP18.70
Rot. Bonds11

About 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]phenyl]quinazoline

2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]phenyl]quinazoline (PubChem CID 121311724) has the molecular formula C74H48N6 and a molecular weight of 1021.24 g/mol. Its IUPAC name is 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]phenyl]quinazoline.

Molecular Properties

Compound Name2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]phenyl]quinazoline
PubChem CID121311724
Molecular FormulaC74H48N6
Molecular Weight1021.24 g/mol
Exact Mass1020.39
IUPAC Name2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]phenyl]quinazoline
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)c4)c3)nc(-c3cccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)c4)c3)n2)cc1
InChIInChI=1S/C74H48N6/c1-4-18-51(19-5-1)68-48-69(62-30-16-28-60(46-62)58-26-14-24-56(44-58)49-36-40-52(41-37-49)70-64-32-10-12-34-66(64)75-72(79-70)54-20-6-2-7-21-54)78-74(77-68)63-31-17-29-61(47-63)59-27-15-25-57(45-59)50-38-42-53(43-39-50)71-65-33-11-13-35-67(65)76-73(80-71)55-22-8-3-9-23-55/h1-48H
InChIKeyNRFPEOQURMQZMU-UHFFFAOYSA-N
XLogP18.70
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.24
LogP ≤ 518.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]phenyl]quinazoline?
The IUPAC name of 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]phenyl]quinazoline (CID 121311724) is 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]phenyl]quinazoline.
What is the SMILES notation for 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]phenyl]quinazoline?
The canonical SMILES for 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]phenyl]quinazoline is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)c4)c3)nc(-c3cccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)c4)c3)n2)cc1.
What is the InChIKey of 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]phenyl]quinazoline?
The InChIKey is NRFPEOQURMQZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N6/c1-4-18-51(19-5-1)68-48-69(62-30-16-28-60(46-62)58-26-14-24-56(44-58)49-36-40-52(41-37-49)70-64-32-10-12-34-66(64)75-72(79-70)54-20-6-2-7-21-54)78-74(77-68)63-31-17-29-61(47-63)59-27-15-25-57(45-59)50-38-42-53(43-39-50)71-65-33-11-13-35-67(65)76-73(80-71)55-22-8-3-9-23-55/h1-48H.
What are the key properties of 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]phenyl]quinazoline?
2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]phenyl]quinazoline has a molecular weight of 1021.24 g/mol, XLogP of 18.70, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]phenyl]quinazoline is sourced from PubChem (CID 121311724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).