9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide

C44H28N4O2S — CID 162698999

IUPAC9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2N1c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C44H28N4O2S/c49-51(50)42-22-12-9-18-34(42)37-28-31(30-23-25-40-36(27-30)33-17-8-11-21-39(33)47(40)32-15-5-2-6-16-32)24-26-41(37)48(51)44-45-38-20-10-7-19-35(38)43(46-44)29-13-3-1-4-14-29/h1-28H
InChIKeyFZBYXMNJRDPYLH-UHFFFAOYSA-N
MW676.80 g/mol
LogP10.57
Rot. Bonds4

About 9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide

9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide (PubChem CID 162698999) has the molecular formula C44H28N4O2S and a molecular weight of 676.80 g/mol. Its IUPAC name is 9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide.

Molecular Properties

Compound Name9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide
PubChem CID162698999
Molecular FormulaC44H28N4O2S
Molecular Weight676.80 g/mol
Exact Mass676.19
IUPAC Name9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2N1c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C44H28N4O2S/c49-51(50)42-22-12-9-18-34(42)37-28-31(30-23-25-40-36(27-30)33-17-8-11-21-39(33)47(40)32-15-5-2-6-16-32)24-26-41(37)48(51)44-45-38-20-10-7-19-35(38)43(46-44)29-13-3-1-4-14-29/h1-28H
InChIKeyFZBYXMNJRDPYLH-UHFFFAOYSA-N
XLogP10.57
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.80
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole
CID 147266430
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
CID 136980186
[9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-3-yl]boronic acid
CID 145381468
2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene
CID 155614093
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060

Frequently Asked Questions

What is the IUPAC name of 9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide?
The IUPAC name of 9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide (CID 162698999) is 9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide.
What is the SMILES notation for 9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide?
The canonical SMILES for 9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide is O=S1(=O)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2N1c1nc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide?
The InChIKey is FZBYXMNJRDPYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O2S/c49-51(50)42-22-12-9-18-34(42)37-28-31(30-23-25-40-36(27-30)33-17-8-11-21-39(33)47(40)32-15-5-2-6-16-32)24-26-41(37)48(51)44-45-38-20-10-7-19-35(38)43(46-44)29-13-3-1-4-14-29/h1-28H.
What are the key properties of 9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide?
9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide has a molecular weight of 676.80 g/mol, XLogP of 10.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide is sourced from PubChem (CID 162698999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).