3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole

C56H35N3S — CID 118067250

IUPAC3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5cc(-c6ccc(-c7ccc8sc9ccccc9c8c7)cc6)ccc54)nc4ccccc34)c2)cc1
InChIInChI=1S/C56H35N3S/c1-3-13-36(14-4-1)42-31-43(37-15-5-2-6-16-37)33-44(32-42)55-47-19-7-10-20-50(47)57-56(58-55)59-51-21-11-8-17-45(51)48-34-40(27-29-52(48)59)38-23-25-39(26-24-38)41-28-30-54-49(35-41)46-18-9-12-22-53(46)60-54/h1-35H
InChIKeyMHYUXBZQDYMXSS-UHFFFAOYSA-N
MW781.98 g/mol
LogP15.43
Rot. Bonds6

About 3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole

3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole (PubChem CID 118067250) has the molecular formula C56H35N3S and a molecular weight of 781.98 g/mol. Its IUPAC name is 3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole.

Molecular Properties

Compound Name3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole
PubChem CID118067250
Molecular FormulaC56H35N3S
Molecular Weight781.98 g/mol
Exact Mass781.26
IUPAC Name3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5cc(-c6ccc(-c7ccc8sc9ccccc9c8c7)cc6)ccc54)nc4ccccc34)c2)cc1
InChIInChI=1S/C56H35N3S/c1-3-13-36(14-4-1)42-31-43(37-15-5-2-6-16-37)33-44(32-42)55-47-19-7-10-20-50(47)57-56(58-55)59-51-21-11-8-17-45(51)48-34-40(27-29-52(48)59)38-23-25-39(26-24-38)41-28-30-54-49(35-41)46-18-9-12-22-53(46)60-54/h1-35H
InChIKeyMHYUXBZQDYMXSS-UHFFFAOYSA-N
XLogP15.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.98
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568323
1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568439
7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 129254561
15-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 126702033
5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 122692448
3-[9-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 138475093
11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 159705158
9-[4-carbazol-9-yl-6-[3-(4-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166825982
11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 147883885
3-dibenzothiophen-3-yl-9-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]carbazole
CID 90129250
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375444

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole?
The IUPAC name of 3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole (CID 118067250) is 3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole.
What is the SMILES notation for 3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole?
The canonical SMILES for 3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5cc(-c6ccc(-c7ccc8sc9ccccc9c8c7)cc6)ccc54)nc4ccccc34)c2)cc1.
What is the InChIKey of 3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole?
The InChIKey is MHYUXBZQDYMXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3S/c1-3-13-36(14-4-1)42-31-43(37-15-5-2-6-16-37)33-44(32-42)55-47-19-7-10-20-50(47)57-56(58-55)59-51-21-11-8-17-45(51)48-34-40(27-29-52(48)59)38-23-25-39(26-24-38)41-28-30-54-49(35-41)46-18-9-12-22-53(46)60-54/h1-35H.
What are the key properties of 3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole?
3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole has a molecular weight of 781.98 g/mol, XLogP of 15.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole is sourced from PubChem (CID 118067250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).