(11Z)-20-[4-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]phenyl]-10-methylidene-9-oxa-20-azatetracyclo[11.7.0.03,8.014,19]icosa-1(13),3,5,7,11,14,16,18-octaene

C51H33N3OS — CID 89426642

IUPAC(11Z)-20-[4-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]phenyl]-10-methylidene-9-oxa-20-azatetracyclo[11.7.0.03,8.014,19]icosa-1(13),3,5,7,11,14,16,18-octaene
SMILESC=C1/C=C\c2c(n(-c3ccc(-c4nc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccccc5n4)cc3)c3ccccc23)Cc2ccccc2O1
InChIInChI=1S/C51H33N3OS/c1-32-21-30-40-39-12-4-7-18-45(39)54(46(40)31-36-11-2-8-19-47(36)55-32)37-28-26-35(27-29-37)51-52-44-17-6-3-14-43(44)49(53-51)34-24-22-33(23-25-34)38-15-10-16-42-41-13-5-9-20-48(41)56-50(38)42/h2-30H,1,31H2/b30-21-
InChIKeyHCVKJHBEOVTAHO-OFWBYEQRSA-N
MW735.91 g/mol
LogP13.45
Rot. Bonds4

About (11Z)-20-[4-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]phenyl]-10-methylidene-9-oxa-20-azatetracyclo[11.7.0.03,8.014,19]icosa-1(13),3,5,7,11,14,16,18-octaene

(11Z)-20-[4-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]phenyl]-10-methylidene-9-oxa-20-azatetracyclo[11.7.0.03,8.014,19]icosa-1(13),3,5,7,11,14,16,18-octaene (PubChem CID 89426642) has the molecular formula C51H33N3OS and a molecular weight of 735.91 g/mol. Its IUPAC name is (11Z)-20-[4-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]phenyl]-10-methylidene-9-oxa-20-azatetracyclo[11.7.0.03,8.014,19]icosa-1(13),3,5,7,11,14,16,18-octaene.

Molecular Properties

Compound Name(11Z)-20-[4-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]phenyl]-10-methylidene-9-oxa-20-azatetracyclo[11.7.0.03,8.014,19]icosa-1(13),3,5,7,11,14,16,18-octaene
PubChem CID89426642
Molecular FormulaC51H33N3OS
Molecular Weight735.91 g/mol
Exact Mass735.23
IUPAC Name(11Z)-20-[4-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]phenyl]-10-methylidene-9-oxa-20-azatetracyclo[11.7.0.03,8.014,19]icosa-1(13),3,5,7,11,14,16,18-octaene
SMILESC=C1/C=C\c2c(n(-c3ccc(-c4nc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccccc5n4)cc3)c3ccccc23)Cc2ccccc2O1
InChIInChI=1S/C51H33N3OS/c1-32-21-30-40-39-12-4-7-18-45(39)54(46(40)31-36-11-2-8-19-47(36)55-32)37-28-26-35(27-29-37)51-52-44-17-6-3-14-43(44)49(53-51)34-24-22-33(23-25-34)38-15-10-16-42-41-13-5-9-20-48(41)56-50(38)42/h2-30H,1,31H2/b30-21-
InChIKeyHCVKJHBEOVTAHO-OFWBYEQRSA-N
XLogP13.45
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.91
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (11Z)-20-[4-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]phenyl]-10-methylidene-9-oxa-20-azatetracyclo[11.7.0.03,8.014,19]icosa-1(13),3,5,7,11,14,16,18-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11Z)-20-[4-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]phenyl]-10-methylidene-9-oxa-20-azatetracyclo[11.7.0.03,8.014,19]icosa-1(13),3,5,7,11,14,16,18-octaene?
The IUPAC name of (11Z)-20-[4-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]phenyl]-10-methylidene-9-oxa-20-azatetracyclo[11.7.0.03,8.014,19]icosa-1(13),3,5,7,11,14,16,18-octaene (CID 89426642) is (11Z)-20-[4-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]phenyl]-10-methylidene-9-oxa-20-azatetracyclo[11.7.0.03,8.014,19]icosa-1(13),3,5,7,11,14,16,18-octaene.
What is the SMILES notation for (11Z)-20-[4-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]phenyl]-10-methylidene-9-oxa-20-azatetracyclo[11.7.0.03,8.014,19]icosa-1(13),3,5,7,11,14,16,18-octaene?
The canonical SMILES for (11Z)-20-[4-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]phenyl]-10-methylidene-9-oxa-20-azatetracyclo[11.7.0.03,8.014,19]icosa-1(13),3,5,7,11,14,16,18-octaene is C=C1/C=C\c2c(n(-c3ccc(-c4nc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccccc5n4)cc3)c3ccccc23)Cc2ccccc2O1.
What is the InChIKey of (11Z)-20-[4-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]phenyl]-10-methylidene-9-oxa-20-azatetracyclo[11.7.0.03,8.014,19]icosa-1(13),3,5,7,11,14,16,18-octaene?
The InChIKey is HCVKJHBEOVTAHO-OFWBYEQRSA-N. The full InChI is InChI=1S/C51H33N3OS/c1-32-21-30-40-39-12-4-7-18-45(39)54(46(40)31-36-11-2-8-19-47(36)55-32)37-28-26-35(27-29-37)51-52-44-17-6-3-14-43(44)49(53-51)34-24-22-33(23-25-34)38-15-10-16-42-41-13-5-9-20-48(41)56-50(38)42/h2-30H,1,31H2/b30-21-.
What are the key properties of (11Z)-20-[4-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]phenyl]-10-methylidene-9-oxa-20-azatetracyclo[11.7.0.03,8.014,19]icosa-1(13),3,5,7,11,14,16,18-octaene?
(11Z)-20-[4-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]phenyl]-10-methylidene-9-oxa-20-azatetracyclo[11.7.0.03,8.014,19]icosa-1(13),3,5,7,11,14,16,18-octaene has a molecular weight of 735.91 g/mol, XLogP of 13.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-20-[4-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]phenyl]-10-methylidene-9-oxa-20-azatetracyclo[11.7.0.03,8.014,19]icosa-1(13),3,5,7,11,14,16,18-octaene is sourced from PubChem (CID 89426642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).