2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole

C36H22N2S2 — CID 121297684

IUPAC2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole
SMILESc1cc(-c2ccc3c4ccc(-c5cccc(-c6nccs6)c5)cc4c4ccccc4c3c2)cc(-c2nccs2)c1
InChIInChI=1S/C36H22N2S2/c1-2-10-30-29(9-1)33-21-25(23-5-3-7-27(19-23)35-37-15-17-39-35)11-13-31(33)32-14-12-26(22-34(30)32)24-6-4-8-28(20-24)36-38-16-18-40-36/h1-22H
InChIKeyRCTAZWRTHIZINW-UHFFFAOYSA-N
MW546.72 g/mol
LogP10.73
Rot. Bonds4

About 2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole

2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole (PubChem CID 121297684) has the molecular formula C36H22N2S2 and a molecular weight of 546.72 g/mol. Its IUPAC name is 2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole
PubChem CID121297684
Molecular FormulaC36H22N2S2
Molecular Weight546.72 g/mol
Exact Mass546.12
IUPAC Name2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole
SMILESc1cc(-c2ccc3c4ccc(-c5cccc(-c6nccs6)c5)cc4c4ccccc4c3c2)cc(-c2nccs2)c1
InChIInChI=1S/C36H22N2S2/c1-2-10-30-29(9-1)33-21-25(23-5-3-7-27(19-23)35-37-15-17-39-35)11-13-31(33)32-14-12-26(22-34(30)32)24-6-4-8-28(20-24)36-38-16-18-40-36/h1-22H
InChIKeyRCTAZWRTHIZINW-UHFFFAOYSA-N
XLogP10.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.72
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole
CID 134471955
2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 158485358
2-[5-[2-naphthalen-2-yl-10-[5-(1,3-thiazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-thiazole
CID 121297736
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
7-[3-(4-triphenylen-2-ylphenyl)phenyl]-[1,4]benzodioxino[2,3-b]pyrazine
CID 169291462
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole
CID 121297681
2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 153435461
2-(3-propan-2-ylphenyl)-1,3-thiazole
CID 22945701
2-(2,5-diphenylphenyl)-1,3-thiazole
CID 71205549
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355

Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole?
The IUPAC name of 2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole (CID 121297684) is 2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole is c1cc(-c2ccc3c4ccc(-c5cccc(-c6nccs6)c5)cc4c4ccccc4c3c2)cc(-c2nccs2)c1.
What is the InChIKey of 2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole?
The InChIKey is RCTAZWRTHIZINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2S2/c1-2-10-30-29(9-1)33-21-25(23-5-3-7-27(19-23)35-37-15-17-39-35)11-13-31(33)32-14-12-26(22-34(30)32)24-6-4-8-28(20-24)36-38-16-18-40-36/h1-22H.
What are the key properties of 2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole?
2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole has a molecular weight of 546.72 g/mol, XLogP of 10.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 121297684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).