10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C58H34N4S — CID 168811229

IUPAC10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2c(c1)-c1ccccc1-c1cc(-c3nccc4c3sc3cccnc34)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc1-c1ccccc1-2
InChIInChI=1S/C58H34N4S/c1-2-15-37-36(14-1)38-16-3-5-18-40(38)46-33-49(57-58-45(29-31-60-57)56-55(63-58)26-13-30-59-56)54(34-47(46)41-19-6-4-17-39(37)41)62-52-25-12-9-22-44(52)48-32-35(27-28-53(48)62)61-50-23-10-7-20-42(50)43-21-8-11-24-51(43)61/h1-34H/b38-36-,39-37-,46-40-,47-41-
InChIKeyCQWMKLPSOKWXLX-FUNVJGAXSA-N
MW819.01 g/mol
LogP15.69
Rot. Bonds3

About 10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 168811229) has the molecular formula C58H34N4S and a molecular weight of 819.01 g/mol. Its IUPAC name is 10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID168811229
Molecular FormulaC58H34N4S
Molecular Weight819.01 g/mol
Exact Mass818.25
IUPAC Name10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2c(c1)-c1ccccc1-c1cc(-c3nccc4c3sc3cccnc34)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc1-c1ccccc1-2
InChIInChI=1S/C58H34N4S/c1-2-15-37-36(14-1)38-16-3-5-18-40(38)46-33-49(57-58-45(29-31-60-57)56-55(63-58)26-13-30-59-56)54(34-47(46)41-19-6-4-17-39(37)41)62-52-25-12-9-22-44(52)48-32-35(27-28-53(48)62)61-50-23-10-7-20-42(50)43-21-8-11-24-51(43)61/h1-34H/b38-36-,39-37-,46-40-,47-41-
InChIKeyCQWMKLPSOKWXLX-FUNVJGAXSA-N
XLogP15.69
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.01
LogP ≤ 515.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine
CID 118334713
1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168811265
3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole
CID 168811264
6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693061
1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine
CID 155101082
6-[3-[4-(3-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 172500377
6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 70992961
6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole
CID 70847781
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole
CID 70847801
8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693027
4,6-bis(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine
CID 146606250
6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
CID 137095996

Frequently Asked Questions

What is the IUPAC name of 10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 168811229) is 10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc2c(c1)-c1ccccc1-c1cc(-c3nccc4c3sc3cccnc34)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc1-c1ccccc1-2.
What is the InChIKey of 10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is CQWMKLPSOKWXLX-FUNVJGAXSA-N. The full InChI is InChI=1S/C58H34N4S/c1-2-15-37-36(14-1)38-16-3-5-18-40(38)46-33-49(57-58-45(29-31-60-57)56-55(63-58)26-13-30-59-56)54(34-47(46)41-19-6-4-17-39(37)41)62-52-25-12-9-22-44(52)48-32-35(27-28-53(48)62)61-50-23-10-7-20-42(50)43-21-8-11-24-51(43)61/h1-34H/b38-36-,39-37-,46-40-,47-41-.
What are the key properties of 10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 819.01 g/mol, XLogP of 15.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 168811229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).