6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline

C41H25N3S — CID 129086221

IUPAC6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc6ccccc6c6sc7ccccc7c56)c4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C41H25N3S/c1-2-11-26(12-3-1)27-21-23-28(24-22-27)38-31-15-4-7-18-34(31)43-41(44-38)30-14-10-13-29(25-30)39-37-33-17-6-9-20-36(33)45-40(37)32-16-5-8-19-35(32)42-39/h1-25H
InChIKeyWPPATPHDWQAUQQ-UHFFFAOYSA-N
MW591.74 g/mol
LogP11.21
Rot. Bonds4

About 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline

6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline (PubChem CID 129086221) has the molecular formula C41H25N3S and a molecular weight of 591.74 g/mol. Its IUPAC name is 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline.

Molecular Properties

Compound Name6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
PubChem CID129086221
Molecular FormulaC41H25N3S
Molecular Weight591.74 g/mol
Exact Mass591.18
IUPAC Name6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc6ccccc6c6sc7ccccc7c56)c4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C41H25N3S/c1-2-11-26(12-3-1)27-21-23-28(24-22-27)38-31-15-4-7-18-34(31)43-41(44-38)30-14-10-13-29(25-30)39-37-33-17-6-9-20-36(33)45-40(37)32-16-5-8-19-35(32)42-39/h1-25H
InChIKeyWPPATPHDWQAUQQ-UHFFFAOYSA-N
XLogP11.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.74
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline with MolForge

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Related Compounds

6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(2-phenylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 160727234
6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129085906
14-[3-(4-phenylquinazolin-2-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123859
6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129085889
6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129086546
2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164716451
6-[3-[4-(4-phenanthren-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 161054592
3-phenyl-6-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 158533695
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[3,2-c]quinoline
CID 161309574
6-[4-[4-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 163421871
14-[3-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123862
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline?
The IUPAC name of 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline (CID 129086221) is 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline.
What is the SMILES notation for 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline?
The canonical SMILES for 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc6ccccc6c6sc7ccccc7c56)c4)nc4ccccc34)cc2)cc1.
What is the InChIKey of 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline?
The InChIKey is WPPATPHDWQAUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3S/c1-2-11-26(12-3-1)27-21-23-28(24-22-27)38-31-15-4-7-18-34(31)43-41(44-38)30-14-10-13-29(25-30)39-37-33-17-6-9-20-36(33)45-40(37)32-16-5-8-19-35(32)42-39/h1-25H.
What are the key properties of 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline?
6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline has a molecular weight of 591.74 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline is sourced from PubChem (CID 129086221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).