2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole

C42H27N3S — CID 153285461

IUPAC2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2ccc(-c3cccnc3-c3cccc(-n4c5ccccc5c5ccc(-c6nc7ccccc7s6)cc54)c3)cc2)cc1
InChIInChI=1S/C42H27N3S/c1-2-10-28(11-3-1)29-19-21-30(22-20-29)34-15-9-25-43-41(34)31-12-8-13-33(26-31)45-38-17-6-4-14-35(38)36-24-23-32(27-39(36)45)42-44-37-16-5-7-18-40(37)46-42/h1-27H
InChIKeyHYNKVNJXRXOILM-UHFFFAOYSA-N
MW605.77 g/mol
LogP11.46
Rot. Bonds5

About 2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole

2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole (PubChem CID 153285461) has the molecular formula C42H27N3S and a molecular weight of 605.77 g/mol. Its IUPAC name is 2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
PubChem CID153285461
Molecular FormulaC42H27N3S
Molecular Weight605.77 g/mol
Exact Mass605.19
IUPAC Name2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2ccc(-c3cccnc3-c3cccc(-n4c5ccccc5c5ccc(-c6nc7ccccc7s6)cc54)c3)cc2)cc1
InChIInChI=1S/C42H27N3S/c1-2-10-28(11-3-1)29-19-21-30(22-20-29)34-15-9-25-43-41(34)31-12-8-13-33(26-31)45-38-17-6-4-14-35(38)36-24-23-32(27-39(36)45)42-44-37-16-5-7-18-40(37)46-42/h1-27H
InChIKeyHYNKVNJXRXOILM-UHFFFAOYSA-N
XLogP11.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.77
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-[3-(3-pyridin-2-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 142329469
2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285040
7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142329340
2-[8-pyridin-4-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328881
2-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-1,3-benzothiazole;2-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[3-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[11-(3-phenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole
CID 160868466
6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285293
2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 149057989
2-[9-[3-(4-thiophen-3-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 142329260
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877
2-[3-[11-(3,5-diphenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole;2-[4-[11-(3,5-diphenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole;2-[2-[5-(3-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[3-[5-(3-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole
CID 160697130
2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 153285100
2-[3-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 168832578

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole (CID 153285461) is 2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole is c1ccc(-c2ccc(-c3cccnc3-c3cccc(-n4c5ccccc5c5ccc(-c6nc7ccccc7s6)cc54)c3)cc2)cc1.
What is the InChIKey of 2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole?
The InChIKey is HYNKVNJXRXOILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3S/c1-2-10-28(11-3-1)29-19-21-30(22-20-29)34-15-9-25-43-41(34)31-12-8-13-33(26-31)45-38-17-6-4-14-35(38)36-24-23-32(27-39(36)45)42-44-37-16-5-7-18-40(37)46-42/h1-27H.
What are the key properties of 2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole?
2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole has a molecular weight of 605.77 g/mol, XLogP of 11.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 153285461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).