10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine

C48H28N2O2S — CID 134475813

IUPAC10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine
SMILESc1ccc2c(c1)Sc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)ccc1N2c1cccc2c1oc1ccccc12
InChIInChI=1S/C48H28N2O2S/c1-4-14-38-32(10-1)36-26-29(20-23-39(36)49(38)31-22-25-45-37(28-31)34-12-3-6-17-43(34)51-45)30-21-24-41-47(27-30)53-46-19-8-5-15-40(46)50(41)42-16-9-13-35-33-11-2-7-18-44(33)52-48(35)42/h1-28H
InChIKeyJNAALTAOQWCHFH-UHFFFAOYSA-N
MW696.83 g/mol
LogP14.18
Rot. Bonds3

About 10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine

10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine (PubChem CID 134475813) has the molecular formula C48H28N2O2S and a molecular weight of 696.83 g/mol. Its IUPAC name is 10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine.

Molecular Properties

Compound Name10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine
PubChem CID134475813
Molecular FormulaC48H28N2O2S
Molecular Weight696.83 g/mol
Exact Mass696.19
IUPAC Name10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine
SMILESc1ccc2c(c1)Sc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)ccc1N2c1cccc2c1oc1ccccc12
InChIInChI=1S/C48H28N2O2S/c1-4-14-38-32(10-1)36-26-29(20-23-39(36)49(38)31-22-25-45-37(28-31)34-12-3-6-17-43(34)51-45)30-21-24-41-47(27-30)53-46-19-8-5-15-40(46)50(41)42-16-9-13-35-33-11-2-7-18-44(33)52-48(35)42/h1-28H
InChIKeyJNAALTAOQWCHFH-UHFFFAOYSA-N
XLogP14.18
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.83
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine
CID 134475884
10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenoxazine
CID 134476372
10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine
CID 134475783
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline
CID 134476211
9-dibenzofuran-2-yl-3-[3-(3-phenylphenyl)phenyl]carbazole;3,6-diphenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole;3-[3-(3-phenylphenyl)phenyl]-9-[8-[3-[3-(3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 158273380
10-dibenzofuran-4-yl-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134476370
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
9-(6-carbazol-9-yl-8-dibenzofuran-2-yldibenzofuran-2-yl)carbazole
CID 58099651
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine?
The IUPAC name of 10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine (CID 134475813) is 10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine.
What is the SMILES notation for 10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine?
The canonical SMILES for 10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine is c1ccc2c(c1)Sc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)ccc1N2c1cccc2c1oc1ccccc12.
What is the InChIKey of 10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine?
The InChIKey is JNAALTAOQWCHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2S/c1-4-14-38-32(10-1)36-26-29(20-23-39(36)49(38)31-22-25-45-37(28-31)34-12-3-6-17-43(34)51-45)30-21-24-41-47(27-30)53-46-19-8-5-15-40(46)50(41)42-16-9-13-35-33-11-2-7-18-44(33)52-48(35)42/h1-28H.
What are the key properties of 10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine?
10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine has a molecular weight of 696.83 g/mol, XLogP of 14.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine is sourced from PubChem (CID 134475813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).