10-phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine

C54H34N4OS — CID 58029157

IUPAC10-phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)Sc6ccccc6N7c6ccccc6)c45)ccc32)cc1
InChIInChI=1S/C54H34N4OS/c1-3-15-35(16-4-1)55-44-23-11-13-25-49(44)59-50-33-37(27-30-45(50)55)57-43-22-10-8-20-41(43)53-48(57)32-29-40-39-19-7-9-21-42(39)58(54(40)53)38-28-31-47-52(34-38)60-51-26-14-12-24-46(51)56(47)36-17-5-2-6-18-36/h1-34H
InChIKeyUMKIYPQIDOCNKL-UHFFFAOYSA-N
MW786.96 g/mol
LogP15.39
Rot. Bonds4

About 10-phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine

10-phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine (PubChem CID 58029157) has the molecular formula C54H34N4OS and a molecular weight of 786.96 g/mol. Its IUPAC name is 10-phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine.

Molecular Properties

Compound Name10-phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine
PubChem CID58029157
Molecular FormulaC54H34N4OS
Molecular Weight786.96 g/mol
Exact Mass786.25
IUPAC Name10-phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)Sc6ccccc6N7c6ccccc6)c45)ccc32)cc1
InChIInChI=1S/C54H34N4OS/c1-3-15-35(16-4-1)55-44-23-11-13-25-49(44)59-50-33-37(27-30-45(50)55)57-43-22-10-8-20-41(43)53-48(57)32-29-40-39-19-7-9-21-42(39)58(54(40)53)38-28-31-47-52(34-38)60-51-26-14-12-24-46(51)56(47)36-17-5-2-6-18-36/h1-34H
InChIKeyUMKIYPQIDOCNKL-UHFFFAOYSA-N
XLogP15.39
TPSA25.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.96
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine?
The IUPAC name of 10-phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine (CID 58029157) is 10-phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine.
What is the SMILES notation for 10-phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine?
The canonical SMILES for 10-phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine is c1ccc(N2c3ccccc3Oc3cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)Sc6ccccc6N7c6ccccc6)c45)ccc32)cc1.
What is the InChIKey of 10-phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine?
The InChIKey is UMKIYPQIDOCNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4OS/c1-3-15-35(16-4-1)55-44-23-11-13-25-49(44)59-50-33-37(27-30-45(50)55)57-43-22-10-8-20-41(43)53-48(57)32-29-40-39-19-7-9-21-42(39)58(54(40)53)38-28-31-47-52(34-38)60-51-26-14-12-24-46(51)56(47)36-17-5-2-6-18-36/h1-34H.
What are the key properties of 10-phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine?
10-phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine has a molecular weight of 786.96 g/mol, XLogP of 15.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine is sourced from PubChem (CID 58029157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).