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

C48H30N2OS — CID 134475884

IUPAC3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine
SMILESc1ccc(-c2cccc(N3c4ccccc4Sc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)c2)cc1
InChIInChI=1S/C48H30N2OS/c1-2-11-31(12-3-1)32-13-10-14-35(27-32)50-43-18-7-9-20-47(43)52-48-29-34(22-25-44(48)50)33-21-24-42-39(28-33)37-15-4-6-17-41(37)49(42)36-23-26-46-40(30-36)38-16-5-8-19-45(38)51-46/h1-30H
InChIKeyMDJPBBKFQQELPD-UHFFFAOYSA-N
MW682.85 g/mol
LogP13.95
Rot. Bonds4

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

3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine (PubChem CID 134475884) has the molecular formula C48H30N2OS and a molecular weight of 682.85 g/mol. Its IUPAC name is 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine.

Molecular Properties

Compound Name3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine
PubChem CID134475884
Molecular FormulaC48H30N2OS
Molecular Weight682.85 g/mol
Exact Mass682.21
IUPAC Name3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine
SMILESc1ccc(-c2cccc(N3c4ccccc4Sc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)c2)cc1
InChIInChI=1S/C48H30N2OS/c1-2-11-31(12-3-1)32-13-10-14-35(27-32)50-43-18-7-9-20-47(43)52-48-29-34(22-25-44(48)50)33-21-24-42-39(28-33)37-15-4-6-17-41(37)49(42)36-23-26-46-40(30-36)38-16-5-8-19-45(38)51-46/h1-30H
InChIKeyMDJPBBKFQQELPD-UHFFFAOYSA-N
XLogP13.95
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.85
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenothiazine
CID 134476408
10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine
CID 134475813
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
10-(3-phenylphenyl)-3-[3-(9-triphenylen-2-ylcarbazol-2-yl)phenyl]phenothiazine
CID 134475869
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3-carbazol-9-yl-9-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]carbazole;3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6,9-diphenylcarbazole;3-dibenzofuran-2-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 159930551

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine?
The IUPAC name of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine (CID 134475884) is 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine.
What is the SMILES notation for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine?
The canonical SMILES for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine is c1ccc(-c2cccc(N3c4ccccc4Sc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)c2)cc1.
What is the InChIKey of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine?
The InChIKey is MDJPBBKFQQELPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2OS/c1-2-11-31(12-3-1)32-13-10-14-35(27-32)50-43-18-7-9-20-47(43)52-48-29-34(22-25-44(48)50)33-21-24-42-39(28-33)37-15-4-6-17-41(37)49(42)36-23-26-46-40(30-36)38-16-5-8-19-45(38)51-46/h1-30H.
What are the key properties of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine?
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine has a molecular weight of 682.85 g/mol, XLogP of 13.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine is sourced from PubChem (CID 134475884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).