2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole

C44H28N4S — CID 118300893

IUPAC2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole
SMILESc1ccc(-c2cc(-c3ncc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)s3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H28N4S/c1-4-14-29(15-5-1)36-26-31(27-37(46-36)30-16-6-2-7-17-30)44-45-28-41(49-44)48-39-23-13-11-21-35(39)42-40(48)25-24-34-33-20-10-12-22-38(33)47(43(34)42)32-18-8-3-9-19-32/h1-28H
InChIKeyFOXHPJSROHWAFO-UHFFFAOYSA-N
MW644.80 g/mol
LogP11.73
Rot. Bonds5

About 2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole

2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole (PubChem CID 118300893) has the molecular formula C44H28N4S and a molecular weight of 644.80 g/mol. Its IUPAC name is 2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole
PubChem CID118300893
Molecular FormulaC44H28N4S
Molecular Weight644.80 g/mol
Exact Mass644.20
IUPAC Name2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole
SMILESc1ccc(-c2cc(-c3ncc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)s3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H28N4S/c1-4-14-29(15-5-1)36-26-31(27-37(46-36)30-16-6-2-7-17-30)44-45-28-41(49-44)48-39-23-13-11-21-35(39)42-40(48)25-24-34-33-20-10-12-22-38(33)47(43(34)42)32-18-8-3-9-19-32/h1-28H
InChIKeyFOXHPJSROHWAFO-UHFFFAOYSA-N
XLogP11.73
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.80
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-carbazol-9-ylphenyl)-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-(3-carbazol-9-ylphenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3-thiazole;2-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole
CID 162230367
12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496601
5-[6-(4,6-diphenyl-2-pyridinyl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 155241006
12-phenyl-5-[4-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496953
12-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240814
12-[6-(2-naphthalen-2-yl-6-phenyl-4-pyridinyl)naphthalen-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 155240145
12-(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-c]carbazole
CID 144650064
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
2-phenyl-5-(14-pyridin-4-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-thiazole;2-phenyl-5-(11-pyridin-4-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole;2-phenyl-5-(7-pyridin-4-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole
CID 158030519
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 158138406
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 161114464
2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole
CID 118300834

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole (CID 118300893) is 2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole is c1ccc(-c2cc(-c3ncc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)s3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole?
The InChIKey is FOXHPJSROHWAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4S/c1-4-14-29(15-5-1)36-26-31(27-37(46-36)30-16-6-2-7-17-30)44-45-28-41(49-44)48-39-23-13-11-21-35(39)42-40(48)25-24-34-33-20-10-12-22-38(33)47(43(34)42)32-18-8-3-9-19-32/h1-28H.
What are the key properties of 2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole?
2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole has a molecular weight of 644.80 g/mol, XLogP of 11.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diphenyl-4-pyridinyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 118300893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).