2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline

C49H31N3S — CID 164716451

IUPAC2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc6ccccc6c6sc(-c7ccccc7)c(-c7ccccc7)c56)c4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C49H31N3S/c1-4-15-32(16-5-1)33-27-29-35(30-28-33)45-39-23-10-12-25-41(39)51-49(52-45)38-22-14-21-37(31-38)46-44-43(34-17-6-2-7-18-34)47(36-19-8-3-9-20-36)53-48(44)40-24-11-13-26-42(40)50-46/h1-31H
InChIKeyIDSPEHTZNZYEDH-UHFFFAOYSA-N
MW693.88 g/mol
LogP13.39
Rot. Bonds6

About 2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline

2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline (PubChem CID 164716451) has the molecular formula C49H31N3S and a molecular weight of 693.88 g/mol. Its IUPAC name is 2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline.

Molecular Properties

Compound Name2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline
PubChem CID164716451
Molecular FormulaC49H31N3S
Molecular Weight693.88 g/mol
Exact Mass693.22
IUPAC Name2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc6ccccc6c6sc(-c7ccccc7)c(-c7ccccc7)c56)c4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C49H31N3S/c1-4-15-32(16-5-1)33-27-29-35(30-28-33)45-39-23-10-12-25-41(39)51-49(52-45)38-22-14-21-37(31-38)46-44-43(34-17-6-2-7-18-34)47(36-19-8-3-9-20-36)53-48(44)40-24-11-13-26-42(40)50-46/h1-31H
InChIKeyIDSPEHTZNZYEDH-UHFFFAOYSA-N
XLogP13.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.88
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716651
2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164716782
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;4-phenyl-2-(3-phenylphenyl)-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164971665
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716114
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716843
2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 165093225
2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline
CID 164716105
2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline
CID 165020295
4-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-triphenylen-2-ylthieno[3,2-c]quinoline
CID 164716711
6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129086221
2-(3,5-diphenylphenyl)-3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenylthieno[3,2-c]quinoline;2-(3,5-diphenylphenyl)-3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline;2-(3,5-diphenylphenyl)-3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline
CID 165029552
4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-diphenylthieno[3,2-c]quinoline
CID 164716443

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline?
The IUPAC name of 2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline (CID 164716451) is 2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline.
What is the SMILES notation for 2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline?
The canonical SMILES for 2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc6ccccc6c6sc(-c7ccccc7)c(-c7ccccc7)c56)c4)nc4ccccc34)cc2)cc1.
What is the InChIKey of 2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline?
The InChIKey is IDSPEHTZNZYEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3S/c1-4-15-32(16-5-1)33-27-29-35(30-28-33)45-39-23-10-12-25-41(39)51-49(52-45)38-22-14-21-37(31-38)46-44-43(34-17-6-2-7-18-34)47(36-19-8-3-9-20-36)53-48(44)40-24-11-13-26-42(40)50-46/h1-31H.
What are the key properties of 2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline?
2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline has a molecular weight of 693.88 g/mol, XLogP of 13.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline is sourced from PubChem (CID 164716451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).