6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole

C38H23NS — CID 123633053

IUPAC6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole
SMILESc1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-n4c5ccccc5c5c6sccc6ccc54)cc3)ccc21
InChIInChI=1S/C38H23NS/c1-2-9-30-28(7-1)29-8-3-4-10-31(29)34-23-26(15-19-32(30)34)24-13-17-27(18-14-24)39-35-12-6-5-11-33(35)37-36(39)20-16-25-21-22-40-38(25)37/h1-23H
InChIKeyUMNJOVHKRRPJQI-UHFFFAOYSA-N
MW525.68 g/mol
LogP11.12
Rot. Bonds2

About 6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole

6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole (PubChem CID 123633053) has the molecular formula C38H23NS and a molecular weight of 525.68 g/mol. Its IUPAC name is 6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole.

Molecular Properties

Compound Name6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole
PubChem CID123633053
Molecular FormulaC38H23NS
Molecular Weight525.68 g/mol
Exact Mass525.16
IUPAC Name6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole
SMILESc1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-n4c5ccccc5c5c6sccc6ccc54)cc3)ccc21
InChIInChI=1S/C38H23NS/c1-2-9-30-28(7-1)29-8-3-4-10-31(29)34-23-26(15-19-32(30)34)24-13-17-27(18-14-24)39-35-12-6-5-11-33(35)37-36(39)20-16-25-21-22-40-38(25)37/h1-23H
InChIKeyUMNJOVHKRRPJQI-UHFFFAOYSA-N
XLogP11.12
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.68
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole
CID 135264413
6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole
CID 118227962
6-[3-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole
CID 118229434
2-bromotriphenylene;6H-thieno[3,2-c]carbazole;6-triphenylen-2-ylthieno[3,2-c]carbazole
CID 159917553
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
9-[4-(3,5-diphenylphenyl)phenyl]-24-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 122466081
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
CID 118228677
2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole
CID 130351286
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole
CID 123366625
10-(9-phenylcarbazol-3-yl)thieno[2,3-a]carbazole
CID 123800166
5,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 165027599

Frequently Asked Questions

What is the IUPAC name of 6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole?
The IUPAC name of 6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole (CID 123633053) is 6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole.
What is the SMILES notation for 6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole?
The canonical SMILES for 6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole is c1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-n4c5ccccc5c5c6sccc6ccc54)cc3)ccc21.
What is the InChIKey of 6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole?
The InChIKey is UMNJOVHKRRPJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NS/c1-2-9-30-28(7-1)29-8-3-4-10-31(29)34-23-26(15-19-32(30)34)24-13-17-27(18-14-24)39-35-12-6-5-11-33(35)37-36(39)20-16-25-21-22-40-38(25)37/h1-23H.
What are the key properties of 6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole?
6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole has a molecular weight of 525.68 g/mol, XLogP of 11.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole is sourced from PubChem (CID 123633053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).