2-phenyl-6-[6-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]thieno[3,2-c]carbazole

C33H20N4S2 — CID 118229503

IUPAC2-phenyl-6-[6-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]thieno[3,2-c]carbazole
SMILESc1ccc(-c2cc3ccc4c(c5ccccc5n4-c4cccc(-c5nnc(-c6ccccc6)s5)n4)c3s2)cc1
InChIInChI=1S/C33H20N4S2/c1-3-10-21(11-4-1)28-20-23-18-19-27-30(31(23)38-28)24-14-7-8-16-26(24)37(27)29-17-9-15-25(34-29)33-36-35-32(39-33)22-12-5-2-6-13-22/h1-20H
InChIKeyAFBZRJAYIKLTOW-UHFFFAOYSA-N
MW536.69 g/mol
LogP9.25
Rot. Bonds4

About 2-phenyl-6-[6-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]thieno[3,2-c]carbazole

2-phenyl-6-[6-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]thieno[3,2-c]carbazole (PubChem CID 118229503) has the molecular formula C33H20N4S2 and a molecular weight of 536.69 g/mol. Its IUPAC name is 2-phenyl-6-[6-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]thieno[3,2-c]carbazole.

Molecular Properties

Compound Name2-phenyl-6-[6-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]thieno[3,2-c]carbazole
PubChem CID118229503
Molecular FormulaC33H20N4S2
Molecular Weight536.69 g/mol
Exact Mass536.11
IUPAC Name2-phenyl-6-[6-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]thieno[3,2-c]carbazole
SMILESc1ccc(-c2cc3ccc4c(c5ccccc5n4-c4cccc(-c5nnc(-c6ccccc6)s5)n4)c3s2)cc1
InChIInChI=1S/C33H20N4S2/c1-3-10-21(11-4-1)28-20-23-18-19-27-30(31(23)38-28)24-14-7-8-16-26(24)37(27)29-17-9-15-25(34-29)33-36-35-32(39-33)22-12-5-2-6-13-22/h1-20H
InChIKeyAFBZRJAYIKLTOW-UHFFFAOYSA-N
XLogP9.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.69
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole
CID 118228358
6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118228493
2-phenyl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole
CID 118229469
2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole
CID 118228059
6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118229475
6-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118229504
9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-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
CID 58570081
2-phenyl-6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole;2-phenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]thieno[3,2-c]carbazole
CID 158520194
2-phenyl-6-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]thieno[3,2-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-2-yl]thieno[3,2-c]carbazole
CID 160528946
2-(9H-carbazol-4-yl)-5-[9-(6-phenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-thiadiazole
CID 122593977
2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole
CID 122593968
9-dibenzothiophen-2-yl-14-(6-phenyl-2-pyridinyl)-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
CID 140937323

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[6-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]thieno[3,2-c]carbazole?
The IUPAC name of 2-phenyl-6-[6-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]thieno[3,2-c]carbazole (CID 118229503) is 2-phenyl-6-[6-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]thieno[3,2-c]carbazole.
What is the SMILES notation for 2-phenyl-6-[6-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]thieno[3,2-c]carbazole?
The canonical SMILES for 2-phenyl-6-[6-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]thieno[3,2-c]carbazole is c1ccc(-c2cc3ccc4c(c5ccccc5n4-c4cccc(-c5nnc(-c6ccccc6)s5)n4)c3s2)cc1.
What is the InChIKey of 2-phenyl-6-[6-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]thieno[3,2-c]carbazole?
The InChIKey is AFBZRJAYIKLTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N4S2/c1-3-10-21(11-4-1)28-20-23-18-19-27-30(31(23)38-28)24-14-7-8-16-26(24)37(27)29-17-9-15-25(34-29)33-36-35-32(39-33)22-12-5-2-6-13-22/h1-20H.
What are the key properties of 2-phenyl-6-[6-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]thieno[3,2-c]carbazole?
2-phenyl-6-[6-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]thieno[3,2-c]carbazole has a molecular weight of 536.69 g/mol, XLogP of 9.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[6-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]thieno[3,2-c]carbazole is sourced from PubChem (CID 118229503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).