10-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenothiazine 5,5-dioxide

C42H25N5O2S — CID 134509006

IUPAC10-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2N(c2cc3c4ccccc4n(-c4nc5ccccc5c5nc6ccccc6n45)c3c3ccccc23)c2ccccc21
InChIInChI=1S/C42H25N5O2S/c48-50(49)38-23-11-9-21-35(38)45(36-22-10-12-24-39(36)50)37-25-30-27-14-4-7-19-33(27)46(40(30)28-15-2-1-13-26(28)37)42-44-31-17-5-3-16-29(31)41-43-32-18-6-8-20-34(32)47(41)42/h1-25H
InChIKeyGMAAVMNDPFFJRG-UHFFFAOYSA-N
MW663.76 g/mol
LogP9.90
Rot. Bonds2

About 10-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenothiazine 5,5-dioxide

10-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenothiazine 5,5-dioxide (PubChem CID 134509006) has the molecular formula C42H25N5O2S and a molecular weight of 663.76 g/mol. Its IUPAC name is 10-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenothiazine 5,5-dioxide.

Molecular Properties

Compound Name10-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenothiazine 5,5-dioxide
PubChem CID134509006
Molecular FormulaC42H25N5O2S
Molecular Weight663.76 g/mol
Exact Mass663.17
IUPAC Name10-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2N(c2cc3c4ccccc4n(-c4nc5ccccc5c5nc6ccccc6n45)c3c3ccccc23)c2ccccc21
InChIInChI=1S/C42H25N5O2S/c48-50(49)38-23-11-9-21-35(38)45(36-22-10-12-24-39(36)50)37-25-30-27-14-4-7-19-33(27)46(40(30)28-15-2-1-13-26(28)37)42-44-31-17-5-3-16-29(31)41-43-32-18-6-8-20-34(32)47(41)42/h1-25H
InChIKeyGMAAVMNDPFFJRG-UHFFFAOYSA-N
XLogP9.90
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.76
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline
CID 134509238
6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134509221
6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134508964
6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134508934
6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134508919
6-(5-dibenzofuran-3-ylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline
CID 134508953
6-[3-(9H-acridin-10-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 145199154
6-[5-(1,10-phenanthrolin-3-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134509014
6-(3-benzo[a]carbazol-11-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline;6-(3-benzo[c]carbazol-7-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline;6-(3-carbazol-9-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 159283423
6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508649
6-(3-naphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134508704
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508650

Frequently Asked Questions

What is the IUPAC name of 10-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenothiazine 5,5-dioxide?
The IUPAC name of 10-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenothiazine 5,5-dioxide (CID 134509006) is 10-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenothiazine 5,5-dioxide.
What is the SMILES notation for 10-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenothiazine 5,5-dioxide?
The canonical SMILES for 10-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenothiazine 5,5-dioxide is O=S1(=O)c2ccccc2N(c2cc3c4ccccc4n(-c4nc5ccccc5c5nc6ccccc6n45)c3c3ccccc23)c2ccccc21.
What is the InChIKey of 10-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenothiazine 5,5-dioxide?
The InChIKey is GMAAVMNDPFFJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N5O2S/c48-50(49)38-23-11-9-21-35(38)45(36-22-10-12-24-39(36)50)37-25-30-27-14-4-7-19-33(27)46(40(30)28-15-2-1-13-26(28)37)42-44-31-17-5-3-16-29(31)41-43-32-18-6-8-20-34(32)47(41)42/h1-25H.
What are the key properties of 10-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenothiazine 5,5-dioxide?
10-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenothiazine 5,5-dioxide has a molecular weight of 663.76 g/mol, XLogP of 9.90, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[11-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[a]carbazol-5-yl]phenothiazine 5,5-dioxide is sourced from PubChem (CID 134509006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).