7-(2,5-diphenylphenyl)-10-(4-phenylphenyl)thieno[3,2-a]carbazole

C44H29NS — CID 144815899

IUPAC7-(2,5-diphenylphenyl)-10-(4-phenylphenyl)thieno[3,2-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc4c4ccc5sccc5c43)cc2)cc1
InChIInChI=1S/C44H29NS/c1-4-10-30(11-5-1)32-16-20-36(21-17-32)45-42-24-19-35(29-41(42)38-23-25-43-39(44(38)45)26-27-46-43)40-28-34(31-12-6-2-7-13-31)18-22-37(40)33-14-8-3-9-15-33/h1-29H
InChIKeySGXJNBIVXOLCTB-UHFFFAOYSA-N
MW603.79 g/mol
LogP12.67
Rot. Bonds5

About 7-(2,5-diphenylphenyl)-10-(4-phenylphenyl)thieno[3,2-a]carbazole

7-(2,5-diphenylphenyl)-10-(4-phenylphenyl)thieno[3,2-a]carbazole (PubChem CID 144815899) has the molecular formula C44H29NS and a molecular weight of 603.79 g/mol. Its IUPAC name is 7-(2,5-diphenylphenyl)-10-(4-phenylphenyl)thieno[3,2-a]carbazole.

Molecular Properties

Compound Name7-(2,5-diphenylphenyl)-10-(4-phenylphenyl)thieno[3,2-a]carbazole
PubChem CID144815899
Molecular FormulaC44H29NS
Molecular Weight603.79 g/mol
Exact Mass603.20
IUPAC Name7-(2,5-diphenylphenyl)-10-(4-phenylphenyl)thieno[3,2-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc4c4ccc5sccc5c43)cc2)cc1
InChIInChI=1S/C44H29NS/c1-4-10-30(11-5-1)32-16-20-36(21-17-32)45-42-24-19-35(29-41(42)38-23-25-43-39(44(38)45)26-27-46-43)40-28-34(31-12-6-2-7-13-31)18-22-37(40)33-14-8-3-9-15-33/h1-29H
InChIKeySGXJNBIVXOLCTB-UHFFFAOYSA-N
XLogP12.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.79
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-(3,5-diphenylphenyl)-7-(4-phenylphenyl)thieno[3,2-a]carbazole
CID 144815935
3,6-bis(1-benzothiophen-4-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121316442
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 58943802
3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 118971958
3-[9-[3-(2,4-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144560233
9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one
CID 139524600
9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943813
6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole
CID 123584276
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 58142311
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-diphenylphenyl)-10-(4-phenylphenyl)thieno[3,2-a]carbazole?
The IUPAC name of 7-(2,5-diphenylphenyl)-10-(4-phenylphenyl)thieno[3,2-a]carbazole (CID 144815899) is 7-(2,5-diphenylphenyl)-10-(4-phenylphenyl)thieno[3,2-a]carbazole.
What is the SMILES notation for 7-(2,5-diphenylphenyl)-10-(4-phenylphenyl)thieno[3,2-a]carbazole?
The canonical SMILES for 7-(2,5-diphenylphenyl)-10-(4-phenylphenyl)thieno[3,2-a]carbazole is c1ccc(-c2ccc(-n3c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc4c4ccc5sccc5c43)cc2)cc1.
What is the InChIKey of 7-(2,5-diphenylphenyl)-10-(4-phenylphenyl)thieno[3,2-a]carbazole?
The InChIKey is SGXJNBIVXOLCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NS/c1-4-10-30(11-5-1)32-16-20-36(21-17-32)45-42-24-19-35(29-41(42)38-23-25-43-39(44(38)45)26-27-46-43)40-28-34(31-12-6-2-7-13-31)18-22-37(40)33-14-8-3-9-15-33/h1-29H.
What are the key properties of 7-(2,5-diphenylphenyl)-10-(4-phenylphenyl)thieno[3,2-a]carbazole?
7-(2,5-diphenylphenyl)-10-(4-phenylphenyl)thieno[3,2-a]carbazole has a molecular weight of 603.79 g/mol, XLogP of 12.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-diphenylphenyl)-10-(4-phenylphenyl)thieno[3,2-a]carbazole is sourced from PubChem (CID 144815899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).