10-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]thiazolo[5,4-b]phenoxazine

C49H30N4OS — CID 118531841

IUPAC10-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]thiazolo[5,4-b]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3cc4nc(-c5ccc(-n6c7ccccc7c7cc8c(cc76)c6ccccc6n8-c6ccccc6)cc5)sc4cc32)cc1
InChIInChI=1S/C49H30N4OS/c1-3-13-32(14-4-1)51-40-19-9-7-17-35(40)37-28-44-38(27-43(37)51)36-18-8-10-20-41(36)52(44)34-25-23-31(24-26-34)49-50-39-29-47-45(30-48(39)55-49)53(33-15-5-2-6-16-33)42-21-11-12-22-46(42)54-47/h1-30H
InChIKeyLSCAFHKIASQMQY-UHFFFAOYSA-N
MW722.87 g/mol
LogP13.73
Rot. Bonds4

About 10-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]thiazolo[5,4-b]phenoxazine

10-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]thiazolo[5,4-b]phenoxazine (PubChem CID 118531841) has the molecular formula C49H30N4OS and a molecular weight of 722.87 g/mol. Its IUPAC name is 10-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]thiazolo[5,4-b]phenoxazine.

Molecular Properties

Compound Name10-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]thiazolo[5,4-b]phenoxazine
PubChem CID118531841
Molecular FormulaC49H30N4OS
Molecular Weight722.87 g/mol
Exact Mass722.21
IUPAC Name10-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]thiazolo[5,4-b]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3cc4nc(-c5ccc(-n6c7ccccc7c7cc8c(cc76)c6ccccc6n8-c6ccccc6)cc5)sc4cc32)cc1
InChIInChI=1S/C49H30N4OS/c1-3-13-32(14-4-1)51-40-19-9-7-17-35(40)37-28-44-38(27-43(37)51)36-18-8-10-20-41(36)52(44)34-25-23-31(24-26-34)49-50-39-29-47-45(30-48(39)55-49)53(33-15-5-2-6-16-33)42-21-11-12-22-46(42)54-47/h1-30H
InChIKeyLSCAFHKIASQMQY-UHFFFAOYSA-N
XLogP13.73
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.87
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]thiazolo[5,4-b]phenoxazine?
The IUPAC name of 10-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]thiazolo[5,4-b]phenoxazine (CID 118531841) is 10-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]thiazolo[5,4-b]phenoxazine.
What is the SMILES notation for 10-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]thiazolo[5,4-b]phenoxazine?
The canonical SMILES for 10-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]thiazolo[5,4-b]phenoxazine is c1ccc(N2c3ccccc3Oc3cc4nc(-c5ccc(-n6c7ccccc7c7cc8c(cc76)c6ccccc6n8-c6ccccc6)cc5)sc4cc32)cc1.
What is the InChIKey of 10-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]thiazolo[5,4-b]phenoxazine?
The InChIKey is LSCAFHKIASQMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4OS/c1-3-13-32(14-4-1)51-40-19-9-7-17-35(40)37-28-44-38(27-43(37)51)36-18-8-10-20-41(36)52(44)34-25-23-31(24-26-34)49-50-39-29-47-45(30-48(39)55-49)53(33-15-5-2-6-16-33)42-21-11-12-22-46(42)54-47/h1-30H.
What are the key properties of 10-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]thiazolo[5,4-b]phenoxazine?
10-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]thiazolo[5,4-b]phenoxazine has a molecular weight of 722.87 g/mol, XLogP of 13.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1,3]thiazolo[5,4-b]phenoxazine is sourced from PubChem (CID 118531841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).