9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole

C57H35N5S — CID 168742568

IUPAC9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6cccc(-c7ccc8sc9ccccc9c8c7)c6)cc5)nc(-n5c6ccccc6c6ccccc65)n4)c3c2)cc1
InChIInChI=1S/C57H35N5S/c1-2-13-36(14-3-1)42-29-31-46-45-19-6-10-23-51(45)62(52(46)35-42)57-59-55(58-56(60-57)61-49-21-8-4-17-43(49)44-18-5-9-22-50(44)61)38-27-25-37(26-28-38)39-15-12-16-40(33-39)41-30-32-54-48(34-41)47-20-7-11-24-53(47)63-54/h1-35H
InChIKeyOKLUHLODFDMWTB-UHFFFAOYSA-N
MW822.01 g/mol
LogP15.10
Rot. Bonds6

About 9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole

9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole (PubChem CID 168742568) has the molecular formula C57H35N5S and a molecular weight of 822.01 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
PubChem CID168742568
Molecular FormulaC57H35N5S
Molecular Weight822.01 g/mol
Exact Mass821.26
IUPAC Name9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6cccc(-c7ccc8sc9ccccc9c8c7)c6)cc5)nc(-n5c6ccccc6c6ccccc65)n4)c3c2)cc1
InChIInChI=1S/C57H35N5S/c1-2-13-36(14-3-1)42-29-31-46-45-19-6-10-23-51(45)62(52(46)35-42)57-59-55(58-56(60-57)61-49-21-8-4-17-43(49)44-18-5-9-22-50(44)61)38-27-25-37(26-28-38)39-15-12-16-40(33-39)41-30-32-54-48(34-41)47-20-7-11-24-53(47)63-54/h1-35H
InChIKeyOKLUHLODFDMWTB-UHFFFAOYSA-N
XLogP15.10
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.01
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-carbazol-9-yl-6-[3-(4-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166825982
9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742562
2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 126632181
9-(4-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438054
9-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572632
2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 134236586
9-[4-carbazol-9-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742506
2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
CID 146179575
9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 163467977
12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165566
2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155329843
2-(3-dibenzothiophen-4-ylphenyl)-9-[4-phenyl-6-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 145097430

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole (CID 168742568) is 9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6cccc(-c7ccc8sc9ccccc9c8c7)c6)cc5)nc(-n5c6ccccc6c6ccccc65)n4)c3c2)cc1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole?
The InChIKey is OKLUHLODFDMWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S/c1-2-13-36(14-3-1)42-29-31-46-45-19-6-10-23-51(45)62(52(46)35-42)57-59-55(58-56(60-57)61-49-21-8-4-17-43(49)44-18-5-9-22-50(44)61)38-27-25-37(26-28-38)39-15-12-16-40(33-39)41-30-32-54-48(34-41)47-20-7-11-24-53(47)63-54/h1-35H.
What are the key properties of 9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole?
9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole has a molecular weight of 822.01 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole is sourced from PubChem (CID 168742568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).