10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole

C69H41N5S2 — CID 153460399

IUPAC10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)sc4c5ccc5c4c4ccccc4n5-c4ccccc4)ccc3-c3ccc4c(c3)sc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C69H41N5S2/c1-5-17-42(18-6-1)67-70-68(43-19-7-2-8-20-43)72-69(71-67)56-39-44(45-30-33-50-52-35-37-59-63(65(52)75-61(50)40-45)54-25-13-15-27-57(54)73(59)47-21-9-3-10-22-47)29-32-49(56)46-31-34-51-53-36-38-60-64(66(53)76-62(51)41-46)55-26-14-16-28-58(55)74(60)48-23-11-4-12-24-48/h1-41H
InChIKeyUFVNCPQXCHFIPN-UHFFFAOYSA-N
MW1004.26 g/mol
LogP19.14
Rot. Bonds7

About 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole

10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 153460399) has the molecular formula C69H41N5S2 and a molecular weight of 1004.26 g/mol. Its IUPAC name is 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
PubChem CID153460399
Molecular FormulaC69H41N5S2
Molecular Weight1004.26 g/mol
Exact Mass1003.28
IUPAC Name10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)sc4c5ccc5c4c4ccccc4n5-c4ccccc4)ccc3-c3ccc4c(c3)sc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C69H41N5S2/c1-5-17-42(18-6-1)67-70-68(43-19-7-2-8-20-43)72-69(71-67)56-39-44(45-30-33-50-52-35-37-59-63(65(52)75-61(50)40-45)54-25-13-15-27-57(54)73(59)47-21-9-3-10-22-47)29-32-49(56)46-31-34-51-53-36-38-60-64(66(53)76-62(51)41-46)55-26-14-16-28-58(55)74(60)48-23-11-4-12-24-48/h1-41H
InChIKeyUFVNCPQXCHFIPN-UHFFFAOYSA-N
XLogP19.14
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.26
LogP ≤ 519.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole with MolForge

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Related Compounds

10-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;11-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 159662638
9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 153459765
8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;10-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 165009261
8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-phenylphenyl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 147664565
3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 129225757
5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 130265429
8-[4-(2,6-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 153459919
5-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139496961
6-[4-(2,6-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[4-(2,6-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 157321700
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 67701024
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 171402662
8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 167401432

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole (CID 153460399) is 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)sc4c5ccc5c4c4ccccc4n5-c4ccccc4)ccc3-c3ccc4c(c3)sc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is UFVNCPQXCHFIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H41N5S2/c1-5-17-42(18-6-1)67-70-68(43-19-7-2-8-20-43)72-69(71-67)56-39-44(45-30-33-50-52-35-37-59-63(65(52)75-61(50)40-45)54-25-13-15-27-57(54)73(59)47-21-9-3-10-22-47)29-32-49(56)46-31-34-51-53-36-38-60-64(66(53)76-62(51)41-46)55-26-14-16-28-58(55)74(60)48-23-11-4-12-24-48/h1-41H.
What are the key properties of 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 1004.26 g/mol, XLogP of 19.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 153460399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).