5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole

C43H27N5S — CID 129063059

IUPAC5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cnc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccnc6)n5)s4)c32)cc1
InChIInChI=1S/C43H27N5S/c1-2-12-30(13-3-1)47-37-19-6-4-14-31(37)33-16-8-17-34(42(33)47)40-27-45-43(49-40)28-22-23-39-35(25-28)32-15-5-7-20-38(32)48(39)41-21-9-18-36(46-41)29-11-10-24-44-26-29/h1-27H
InChIKeyRQMOHIHOXZUHPI-UHFFFAOYSA-N
MW645.79 g/mol
LogP11.13
Rot. Bonds5

About 5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole

5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole (PubChem CID 129063059) has the molecular formula C43H27N5S and a molecular weight of 645.79 g/mol. Its IUPAC name is 5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole
PubChem CID129063059
Molecular FormulaC43H27N5S
Molecular Weight645.79 g/mol
Exact Mass645.20
IUPAC Name5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cnc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccnc6)n5)s4)c32)cc1
InChIInChI=1S/C43H27N5S/c1-2-12-30(13-3-1)47-37-19-6-4-14-31(37)33-16-8-17-34(42(33)47)40-27-45-43(49-40)28-22-23-39-35(25-28)32-15-5-7-20-38(32)48(39)41-21-9-18-36(46-41)29-11-10-24-44-26-29/h1-27H
InChIKeyRQMOHIHOXZUHPI-UHFFFAOYSA-N
XLogP11.13
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.79
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole
CID 122593968
1-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole
CID 122594079
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole;2-(9-phenylcarbazol-1-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole
CID 158523866
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 126764108
2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-thiadiazole
CID 122593887
3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole;3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole;3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 160598852
2-[9-(6-pyridin-2-yl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-thiadiazole
CID 122594134
9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221469
11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole
CID 144568618
3-[5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;3-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;3-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-4-phenyl-1,2,4-triazol-3-yl]-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-4-phenyl-1,2,4-triazol-3-yl]carbazole;4-[4-phenyl-5-(9-phenylcarbazol-3-yl)-1,2,4-triazol-3-yl]-9-(6-pyridin-3-yl-2-pyridinyl)carbazole
CID 161182261
11-phenyl-12-[6-(4-phenylphenyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 134240187
5-phenyl-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 58570053

Frequently Asked Questions

What is the IUPAC name of 5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole?
The IUPAC name of 5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole (CID 129063059) is 5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole?
The canonical SMILES for 5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole is c1ccc(-n2c3ccccc3c3cccc(-c4cnc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccnc6)n5)s4)c32)cc1.
What is the InChIKey of 5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole?
The InChIKey is RQMOHIHOXZUHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5S/c1-2-12-30(13-3-1)47-37-19-6-4-14-31(37)33-16-8-17-34(42(33)47)40-27-45-43(49-40)28-22-23-39-35(25-28)32-15-5-7-20-38(32)48(39)41-21-9-18-36(46-41)29-11-10-24-44-26-29/h1-27H.
What are the key properties of 5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole?
5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole has a molecular weight of 645.79 g/mol, XLogP of 11.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-phenylcarbazol-1-yl)-2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 129063059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).