10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine

C104H68N8OS — CID 157392775

IUPAC10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)c3)n2)cc1
InChIInChI=1S/C52H34N4O.C52H34N4S/c2*1-3-14-35(15-4-1)44-34-45(36-16-5-2-6-17-36)54-52(53-44)39-19-13-18-37(32-39)38-26-31-47-43(33-38)42-20-7-8-21-46(42)55(47)40-27-29-41(30-28-40)56-48-22-9-11-24-50(48)57-51-25-12-10-23-49(51)56/h2*1-34H
InChIKeyBMEXLVZZXGZXGP-UHFFFAOYSA-N
MW1477.81 g/mol
LogP27.99
Rot. Bonds12

About 10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine

10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine (PubChem CID 157392775) has the molecular formula C104H68N8OS and a molecular weight of 1477.81 g/mol. Its IUPAC name is 10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine
PubChem CID157392775
Molecular FormulaC104H68N8OS
Molecular Weight1477.81 g/mol
Exact Mass1476.52
IUPAC Name10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)c3)n2)cc1
InChIInChI=1S/C52H34N4O.C52H34N4S/c2*1-3-14-35(15-4-1)44-34-45(36-16-5-2-6-17-36)54-52(53-44)39-19-13-18-37(32-39)38-26-31-47-43(33-38)42-20-7-8-21-46(42)55(47)40-27-29-41(30-28-40)56-48-22-9-11-24-50(48)57-51-25-12-10-23-49(51)56/h2*1-34H
InChIKeyBMEXLVZZXGZXGP-UHFFFAOYSA-N
XLogP27.99
TPSA77.13 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001477.81
LogP ≤ 527.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]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-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine (CID 157392775) is 10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)c3)n2)cc1.
What is the InChIKey of 10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine?
The InChIKey is BMEXLVZZXGZXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4O.C52H34N4S/c2*1-3-14-35(15-4-1)44-34-45(36-16-5-2-6-17-36)54-52(53-44)39-19-13-18-37(32-39)38-26-31-47-43(33-38)42-20-7-8-21-46(42)55(47)40-27-29-41(30-28-40)56-48-22-9-11-24-50(48)57-51-25-12-10-23-49(51)56/h2*1-34H.
What are the key properties of 10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine?
10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine has a molecular weight of 1477.81 g/mol, XLogP of 27.99, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenothiazine;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine is sourced from PubChem (CID 157392775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).