2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole

C57H35N5S — CID 146179575

IUPAC2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccc(-n5c6ccccc6c6ccccc65)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7sc8ccccc8c7c6)n5)cc4)c3c2)cc1
InChIInChI=1S/C57H35N5S/c1-3-13-36(14-4-1)39-25-30-45-46-31-29-42(62-49-20-10-7-17-43(49)44-18-8-11-21-50(44)62)35-52(46)61(51(45)34-39)41-27-23-38(24-28-41)56-58-55(37-15-5-2-6-16-37)59-57(60-56)40-26-32-54-48(33-40)47-19-9-12-22-53(47)63-54/h1-35H
InChIKeyYRCYJNNBZMTNBG-UHFFFAOYSA-N
MW822.01 g/mol
LogP15.10
Rot. Bonds6

About 2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole

2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole (PubChem CID 146179575) has the molecular formula C57H35N5S and a molecular weight of 822.01 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
PubChem CID146179575
Molecular FormulaC57H35N5S
Molecular Weight822.01 g/mol
Exact Mass821.26
IUPAC Name2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccc(-n5c6ccccc6c6ccccc65)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7sc8ccccc8c7c6)n5)cc4)c3c2)cc1
InChIInChI=1S/C57H35N5S/c1-3-13-36(14-4-1)39-25-30-45-46-31-29-42(62-49-20-10-7-17-43(49)44-18-8-11-21-50(44)62)35-52(46)61(51(45)34-39)41-27-23-38(24-28-41)56-58-55(37-15-5-2-6-16-37)59-57(60-56)40-26-32-54-48(33-40)47-19-9-12-22-53(47)63-54/h1-35H
InChIKeyYRCYJNNBZMTNBG-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-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438054
9-(4-dibenzothiophen-2-ylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438044
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-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011175
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472
9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-2-phenylcarbazole
CID 154624436
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazole;9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazole
CID 157308246
3-dibenzothiophen-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 90211436
2-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 118154600
6-dibenzothiophen-3-yl-9-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705058
2-carbazol-9-yl-9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179594
9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011633

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole?
The IUPAC name of 2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole (CID 146179575) is 2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole.
What is the SMILES notation for 2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole?
The canonical SMILES for 2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole is c1ccc(-c2ccc3c4ccc(-n5c6ccccc6c6ccccc65)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7sc8ccccc8c7c6)n5)cc4)c3c2)cc1.
What is the InChIKey of 2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole?
The InChIKey is YRCYJNNBZMTNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S/c1-3-13-36(14-4-1)39-25-30-45-46-31-29-42(62-49-20-10-7-17-43(49)44-18-8-11-21-50(44)62)35-52(46)61(51(45)34-39)41-27-23-38(24-28-41)56-58-55(37-15-5-2-6-16-37)59-57(60-56)40-26-32-54-48(33-40)47-19-9-12-22-53(47)63-54/h1-35H.
What are the key properties of 2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole?
2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-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 2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole is sourced from PubChem (CID 146179575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).