2-dibenzofuran-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole

C54H31N3OS — CID 67701965

IUPAC2-dibenzofuran-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc2c(-c3ccc(-c4nc(-n5c6ccc(-c7ccc8oc9ccccc9c8c7)cc6c6c7sc8ccccc8c7ccc65)nc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C54H31N3OS/c1-2-12-37-32(10-1)11-9-16-38(37)33-20-22-34(23-21-33)52-42-15-3-6-17-45(42)55-54(56-52)57-46-27-24-35(36-25-29-49-43(30-36)39-13-4-7-18-48(39)58-49)31-44(46)51-47(57)28-26-41-40-14-5-8-19-50(40)59-53(41)51/h1-31H
InChIKeyFYWPTISTZJMSMI-UHFFFAOYSA-N
MW769.93 g/mol
LogP15.15
Rot. Bonds4

About 2-dibenzofuran-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole

2-dibenzofuran-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 67701965) has the molecular formula C54H31N3OS and a molecular weight of 769.93 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID67701965
Molecular FormulaC54H31N3OS
Molecular Weight769.93 g/mol
Exact Mass769.22
IUPAC Name2-dibenzofuran-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc2c(-c3ccc(-c4nc(-n5c6ccc(-c7ccc8oc9ccccc9c8c7)cc6c6c7sc8ccccc8c7ccc65)nc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C54H31N3OS/c1-2-12-37-32(10-1)11-9-16-38(37)33-20-22-34(23-21-33)52-42-15-3-6-17-45(42)55-54(56-52)57-46-27-24-35(36-25-29-49-43(30-36)39-13-4-7-18-48(39)58-49)31-44(46)51-47(57)28-26-41-40-14-5-8-19-50(40)59-53(41)51/h1-31H
InChIKeyFYWPTISTZJMSMI-UHFFFAOYSA-N
XLogP15.15
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.93
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 2-dibenzofuran-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole (CID 67701965) is 2-dibenzofuran-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 2-dibenzofuran-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 2-dibenzofuran-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole is c1ccc2c(-c3ccc(-c4nc(-n5c6ccc(-c7ccc8oc9ccccc9c8c7)cc6c6c7sc8ccccc8c7ccc65)nc5ccccc45)cc3)cccc2c1.
What is the InChIKey of 2-dibenzofuran-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is FYWPTISTZJMSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31N3OS/c1-2-12-37-32(10-1)11-9-16-38(37)33-20-22-34(23-21-33)52-42-15-3-6-17-45(42)55-54(56-52)57-46-27-24-35(36-25-29-49-43(30-36)39-13-4-7-18-48(39)58-49)31-44(46)51-47(57)28-26-41-40-14-5-8-19-50(40)59-53(41)51/h1-31H.
What are the key properties of 2-dibenzofuran-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole?
2-dibenzofuran-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 769.93 g/mol, XLogP of 15.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 67701965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).