5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine

C149H91N15OS3 — CID 159235427

IUPAC5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cnc3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)sc3c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)nc3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cn4)sc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc3nc(-n4c5ccccc5c5ccccc54)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3s2)cc1
InChIInChI=1S/C54H33N5S.C53H32N6S.C42H26N4OS/c1-7-19-45-38(13-1)39-14-2-8-20-46(39)57(45)36-29-25-34(26-30-36)44-33-51(59-49-23-11-5-17-42(49)43-18-6-12-24-50(43)59)55-53-52(44)60-54(56-53)35-27-31-37(32-28-35)58-47-21-9-3-15-40(47)41-16-4-10-22-48(41)58;1-7-19-44-36(13-1)37-14-2-8-20-45(37)57(44)34-27-25-33(26-28-34)42-31-50(59-48-23-11-5-17-40(48)41-18-6-12-24-49(41)59)55-52-51(42)60-53(56-52)43-30-29-35(32-54-43)58-46-21-9-3-15-38(46)39-16-4-10-22-47(39)58;1-3-11-34-32(9-1)33-10-2-4-12-35(33)45(34)30-23-19-28(20-24-30)42-44-41-40(48-42)25-29(26-43-41)27-17-21-31(22-18-27)46-36-13-5-7-15-38(36)47-39-16-8-6-14-37(39)46/h1-33H;1-32H;1-26H
InChIKeyKTKIOFWLNURTGX-UHFFFAOYSA-N
MW2203.67 g/mol
LogP39.73
Rot. Bonds14

About 5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine

5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine (PubChem CID 159235427) has the molecular formula C149H91N15OS3 and a molecular weight of 2203.67 g/mol. Its IUPAC name is 5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine
PubChem CID159235427
Molecular FormulaC149H91N15OS3
Molecular Weight2203.67 g/mol
Exact Mass2201.67
IUPAC Name5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cnc3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)sc3c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)nc3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cn4)sc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc3nc(-n4c5ccccc5c5ccccc54)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3s2)cc1
InChIInChI=1S/C54H33N5S.C53H32N6S.C42H26N4OS/c1-7-19-45-38(13-1)39-14-2-8-20-46(39)57(45)36-29-25-34(26-30-36)44-33-51(59-49-23-11-5-17-42(49)43-18-6-12-24-50(43)59)55-53-52(44)60-54(56-53)35-27-31-37(32-28-35)58-47-21-9-3-15-40(47)41-16-4-10-22-48(41)58;1-7-19-44-36(13-1)37-14-2-8-20-45(37)57(44)34-27-25-33(26-28-34)42-31-50(59-48-23-11-5-17-40(48)41-18-6-12-24-49(41)59)55-52-51(42)60-53(56-52)43-30-29-35(32-54-43)58-46-21-9-3-15-38(46)39-16-4-10-22-47(39)58;1-3-11-34-32(9-1)33-10-2-4-12-35(33)45(34)30-23-19-28(20-24-30)42-44-41-40(48-42)25-29(26-43-41)27-17-21-31(22-18-27)46-36-13-5-7-15-38(36)47-39-16-8-6-14-37(39)46/h1-33H;1-32H;1-26H
InChIKeyKTKIOFWLNURTGX-UHFFFAOYSA-N
XLogP39.73
TPSA137.21 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms168
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002203.67
LogP ≤ 539.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine?
The IUPAC name of 5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine (CID 159235427) is 5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine.
What is the SMILES notation for 5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine?
The canonical SMILES for 5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cnc3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)sc3c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)nc3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cn4)sc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc3nc(-n4c5ccccc5c5ccccc54)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3s2)cc1.
What is the InChIKey of 5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine?
The InChIKey is KTKIOFWLNURTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N5S.C53H32N6S.C42H26N4OS/c1-7-19-45-38(13-1)39-14-2-8-20-46(39)57(45)36-29-25-34(26-30-36)44-33-51(59-49-23-11-5-17-42(49)43-18-6-12-24-50(43)59)55-53-52(44)60-54(56-53)35-27-31-37(32-28-35)58-47-21-9-3-15-40(47)41-16-4-10-22-48(41)58;1-7-19-44-36(13-1)37-14-2-8-20-45(37)57(44)34-27-25-33(26-28-34)42-31-50(59-48-23-11-5-17-40(48)41-18-6-12-24-49(41)59)55-52-51(42)60-53(56-52)43-30-29-35(32-54-43)58-46-21-9-3-15-38(46)39-16-4-10-22-47(39)58;1-3-11-34-32(9-1)33-10-2-4-12-35(33)45(34)30-23-19-28(20-24-30)42-44-41-40(48-42)25-29(26-43-41)27-17-21-31(22-18-27)46-36-13-5-7-15-38(36)47-39-16-8-6-14-37(39)46/h1-33H;1-32H;1-26H.
What are the key properties of 5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine?
5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine has a molecular weight of 2203.67 g/mol, XLogP of 39.73, 14 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2,7-bis(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;5-carbazol-9-yl-7-(4-carbazol-9-ylphenyl)-2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-[2-(4-carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]phenoxazine is sourced from PubChem (CID 159235427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).