2,4-diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole

C105H67N9OS2 — CID 157318067

IUPAC2,4-diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole
SMILESc1ccc(-c2nc(-c3ccccc3)c(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)s2)cc1.c1ccc(-c2ncc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)o2)cc1.c1ccc(-c2ncc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)s2)cc1
InChIInChI=1S/C39H25N3S.C33H21N3O.C33H21N3S/c1-4-14-26(15-5-1)37-39(43-38(40-37)27-16-6-2-7-17-27)42-34-23-13-11-21-30(34)32-24-35-31(25-36(32)42)29-20-10-12-22-33(29)41(35)28-18-8-3-9-19-28;2*1-3-11-22(12-4-1)33-34-21-30(37-33)36-29-18-10-8-16-25(29)27-20-19-26-24-15-7-9-17-28(24)35(31(26)32(27)36)23-13-5-2-6-14-23/h1-25H;2*1-21H
InChIKeyBDVNITQTMMDLHB-UHFFFAOYSA-N
MW1534.89 g/mol
LogP28.21
Rot. Bonds10

About 2,4-diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole

2,4-diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole (PubChem CID 157318067) has the molecular formula C105H67N9OS2 and a molecular weight of 1534.89 g/mol. Its IUPAC name is 2,4-diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole
PubChem CID157318067
Molecular FormulaC105H67N9OS2
Molecular Weight1534.89 g/mol
Exact Mass1533.49
IUPAC Name2,4-diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole
SMILESc1ccc(-c2nc(-c3ccccc3)c(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)s2)cc1.c1ccc(-c2ncc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)o2)cc1.c1ccc(-c2ncc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)s2)cc1
InChIInChI=1S/C39H25N3S.C33H21N3O.C33H21N3S/c1-4-14-26(15-5-1)37-39(43-38(40-37)27-16-6-2-7-17-27)42-34-23-13-11-21-30(34)32-24-35-31(25-36(32)42)29-20-10-12-22-33(29)41(35)28-18-8-3-9-19-28;2*1-3-11-22(12-4-1)33-34-21-30(37-33)36-29-18-10-8-16-25(29)27-20-19-26-24-15-7-9-17-28(24)35(31(26)32(27)36)23-13-5-2-6-14-23/h1-25H;2*1-21H
InChIKeyBDVNITQTMMDLHB-UHFFFAOYSA-N
XLogP28.21
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001534.89
LogP ≤ 528.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,4-diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole with MolForge

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Related Compounds

5-[3-[3-(1,3-Benzothiazol-2-yl)-5-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-1,3-oxazole
CID 58480082
2-Phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole
CID 118293575
2-Phenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-oxazole
CID 118300765
5-(11-Phenylindolo[2,3-a]carbazol-12-yl)-2-pyridin-2-yl-1,3-oxazole
CID 118300875
2-[4-(1,3-Benzothiazol-2-yl)-2,3,5,6-tetra(carbazol-9-yl)phenyl]-1,3-benzoxazole
CID 139533390
2-[7-(1,3-benzothiazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-8H-carbazol-8-id-2-yl]-1,3-oxazole;platinum(2+)
CID 153285248
2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-2-pyridinyl]-1,3-oxazole;platinum(2+)
CID 153285274
platinum(2+);2-[2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazol-5-yl]-1,3-oxazole
CID 153285556
2,5-Bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole);5-(4-tert-butylphenyl)-4-methyl-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole
CID 157311784
2-[5-[9-Naphthalen-1-yl-7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]carbazol-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[9-naphthalen-1-yl-7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-2-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[6-[6-(1,3-oxazol-2-yl)-3-pyridinyl]naphthalen-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-phenyl-9-[6-(1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]carbazol-5-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[9-phenyl-7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-2-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[6-[6-(1,3-thiazol-2-yl)-3-pyridinyl]naphthalen-2-yl]-2-pyridinyl]-1,3-thiazole
CID 157500837
N-[4-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;2-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-1,3-benzoxazole
CID 157715663
4-Methyl-2-phenyl-5-(4-phenylphenyl)triazole;5-methyl-1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;tetrakis(rhodium)
CID 157958935

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole?
The IUPAC name of 2,4-diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole (CID 157318067) is 2,4-diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole.
What is the SMILES notation for 2,4-diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole?
The canonical SMILES for 2,4-diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole is c1ccc(-c2nc(-c3ccccc3)c(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)s2)cc1.c1ccc(-c2ncc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)o2)cc1.c1ccc(-c2ncc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)s2)cc1.
What is the InChIKey of 2,4-diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole?
The InChIKey is BDVNITQTMMDLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3S.C33H21N3O.C33H21N3S/c1-4-14-26(15-5-1)37-39(43-38(40-37)27-16-6-2-7-17-27)42-34-23-13-11-21-30(34)32-24-35-31(25-36(32)42)29-20-10-12-22-33(29)41(35)28-18-8-3-9-19-28;2*1-3-11-22(12-4-1)33-34-21-30(37-33)36-29-18-10-8-16-25(29)27-20-19-26-24-15-7-9-17-28(24)35(31(26)32(27)36)23-13-5-2-6-14-23/h1-25H;2*1-21H.
What are the key properties of 2,4-diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole?
2,4-diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole has a molecular weight of 1534.89 g/mol, XLogP of 28.21, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole is sourced from PubChem (CID 157318067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).