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

C44H29NS — CID 144815935

IUPAC10-(3,5-diphenylphenyl)-7-(4-phenylphenyl)thieno[3,2-a]carbazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3ccc5sccc5c3n4-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C44H29NS/c1-4-10-30(11-5-1)33-16-18-34(19-17-33)35-20-22-42-41(29-35)39-21-23-43-40(24-25-46-43)44(39)45(42)38-27-36(31-12-6-2-7-13-31)26-37(28-38)32-14-8-3-9-15-32/h1-29H
InChIKeyLTCGZLFCSGUAQE-UHFFFAOYSA-N
MW603.79 g/mol
LogP12.67
Rot. Bonds5

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

10-(3,5-diphenylphenyl)-7-(4-phenylphenyl)thieno[3,2-a]carbazole (PubChem CID 144815935) has the molecular formula C44H29NS and a molecular weight of 603.79 g/mol. Its IUPAC name is 10-(3,5-diphenylphenyl)-7-(4-phenylphenyl)thieno[3,2-a]carbazole.

Molecular Properties

Compound Name10-(3,5-diphenylphenyl)-7-(4-phenylphenyl)thieno[3,2-a]carbazole
PubChem CID144815935
Molecular FormulaC44H29NS
Molecular Weight603.79 g/mol
Exact Mass603.20
IUPAC Name10-(3,5-diphenylphenyl)-7-(4-phenylphenyl)thieno[3,2-a]carbazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3ccc5sccc5c3n4-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C44H29NS/c1-4-10-30(11-5-1)33-16-18-34(19-17-33)35-20-22-42-41(29-35)39-21-23-43-40(24-25-46-43)44(39)45(42)38-27-36(31-12-6-2-7-13-31)26-37(28-38)32-14-8-3-9-15-32/h1-29H
InChIKeyLTCGZLFCSGUAQE-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

7-(2,5-diphenylphenyl)-10-(4-phenylphenyl)thieno[3,2-a]carbazole
CID 144815899
12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
CID 118318986
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
3-phenyl-9-[3-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492182
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084408
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372
10-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315552
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
CID 157108405
3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 155305939
3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159378561

Frequently Asked Questions

What is the IUPAC name of 10-(3,5-diphenylphenyl)-7-(4-phenylphenyl)thieno[3,2-a]carbazole?
The IUPAC name of 10-(3,5-diphenylphenyl)-7-(4-phenylphenyl)thieno[3,2-a]carbazole (CID 144815935) is 10-(3,5-diphenylphenyl)-7-(4-phenylphenyl)thieno[3,2-a]carbazole.
What is the SMILES notation for 10-(3,5-diphenylphenyl)-7-(4-phenylphenyl)thieno[3,2-a]carbazole?
The canonical SMILES for 10-(3,5-diphenylphenyl)-7-(4-phenylphenyl)thieno[3,2-a]carbazole is c1ccc(-c2ccc(-c3ccc4c(c3)c3ccc5sccc5c3n4-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 10-(3,5-diphenylphenyl)-7-(4-phenylphenyl)thieno[3,2-a]carbazole?
The InChIKey is LTCGZLFCSGUAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NS/c1-4-10-30(11-5-1)33-16-18-34(19-17-33)35-20-22-42-41(29-35)39-21-23-43-40(24-25-46-43)44(39)45(42)38-27-36(31-12-6-2-7-13-31)26-37(28-38)32-14-8-3-9-15-32/h1-29H.
What are the key properties of 10-(3,5-diphenylphenyl)-7-(4-phenylphenyl)thieno[3,2-a]carbazole?
10-(3,5-diphenylphenyl)-7-(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 10-(3,5-diphenylphenyl)-7-(4-phenylphenyl)thieno[3,2-a]carbazole is sourced from PubChem (CID 144815935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).