4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline

C47H31N5 — CID 155156227

IUPAC4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5)c4)n3)cc2)cc1
InChIInChI=1S/C47H31N5/c1-4-14-32(15-5-1)33-26-28-36(29-27-33)45-50-44(35-18-8-3-9-19-35)51-47(52-45)40-23-13-21-38(31-40)37-20-12-22-39(30-37)46-48-42-25-11-10-24-41(42)43(49-46)34-16-6-2-7-17-34/h1-31H
InChIKeyALUYTNIBEQOEKD-UHFFFAOYSA-N
MW665.80 g/mol
LogP11.48
Rot. Bonds7

About 4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline

4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline (PubChem CID 155156227) has the molecular formula C47H31N5 and a molecular weight of 665.80 g/mol. Its IUPAC name is 4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline.

Molecular Properties

Compound Name4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
PubChem CID155156227
Molecular FormulaC47H31N5
Molecular Weight665.80 g/mol
Exact Mass665.26
IUPAC Name4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5)c4)n3)cc2)cc1
InChIInChI=1S/C47H31N5/c1-4-14-32(15-5-1)33-26-28-36(29-27-33)45-50-44(35-18-8-3-9-19-35)51-47(52-45)40-23-13-21-38(31-40)37-20-12-22-39(30-37)46-48-42-25-11-10-24-41(42)43(49-46)34-16-6-2-7-17-34/h1-31H
InChIKeyALUYTNIBEQOEKD-UHFFFAOYSA-N
XLogP11.48
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
22-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475063
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
22-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475317
6-[3-[4-(3-phenanthridin-6-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine
CID 129265621
3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine
CID 155792573
6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine
CID 155792797
2,4-bis(3,5-diphenylphenyl)quinazoline
CID 146334707
6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
CID 122665219

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline?
The IUPAC name of 4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline (CID 155156227) is 4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline.
What is the SMILES notation for 4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline?
The canonical SMILES for 4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5)c4)n3)cc2)cc1.
What is the InChIKey of 4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline?
The InChIKey is ALUYTNIBEQOEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5/c1-4-14-32(15-5-1)33-26-28-36(29-27-33)45-50-44(35-18-8-3-9-19-35)51-47(52-45)40-23-13-21-38(31-40)37-20-12-22-39(30-37)46-48-42-25-11-10-24-41(42)43(49-46)34-16-6-2-7-17-34/h1-31H.
What are the key properties of 4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline?
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline has a molecular weight of 665.80 g/mol, XLogP of 11.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline is sourced from PubChem (CID 155156227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).