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

C57H35N5S — CID 176640466

IUPAC2-carbazol-9-yl-9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)ccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C57H35N5S/c1-3-15-36(16-4-1)41-31-28-39(62-51-25-13-9-21-44(51)45-32-29-40(35-52(45)62)61-49-23-11-7-19-42(49)43-20-8-12-24-50(43)61)34-48(41)57-59-55(37-17-5-2-6-18-37)58-56(60-57)38-27-30-47-46-22-10-14-26-53(46)63-54(47)33-38/h1-35H
InChIKeyWOOQZVCXPCAKGG-UHFFFAOYSA-N
MW822.01 g/mol
LogP15.10
Rot. Bonds6

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

2-carbazol-9-yl-9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole (PubChem CID 176640466) has the molecular formula C57H35N5S and a molecular weight of 822.01 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
PubChem CID176640466
Molecular FormulaC57H35N5S
Molecular Weight822.01 g/mol
Exact Mass821.26
IUPAC Name2-carbazol-9-yl-9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)ccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C57H35N5S/c1-3-15-36(16-4-1)41-31-28-39(62-51-25-13-9-21-44(51)45-32-29-40(35-52(45)62)61-49-23-11-7-19-42(49)43-20-8-12-24-50(43)61)34-48(41)57-59-55(37-17-5-2-6-18-37)58-56(60-57)38-27-30-47-46-22-10-14-26-53(46)63-54(47)33-38/h1-35H
InChIKeyWOOQZVCXPCAKGG-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

2-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164980671
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 166953184
2-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 118154600
9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 146664265
2-carbazol-9-yl-9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179594
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011175
9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-2-phenylcarbazole
CID 154624436
9-[3-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747324
9-carbazol-9-yl-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 155006788
2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
CID 146179575
11-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 134168992
9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
CID 174170365

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole?
The IUPAC name of 2-carbazol-9-yl-9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole (CID 176640466) is 2-carbazol-9-yl-9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole?
The canonical SMILES for 2-carbazol-9-yl-9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)ccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 2-carbazol-9-yl-9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole?
The InChIKey is WOOQZVCXPCAKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S/c1-3-15-36(16-4-1)41-31-28-39(62-51-25-13-9-21-44(51)45-32-29-40(35-52(45)62)61-49-23-11-7-19-42(49)43-20-8-12-24-50(43)61)34-48(41)57-59-55(37-17-5-2-6-18-37)58-56(60-57)38-27-30-47-46-22-10-14-26-53(46)63-54(47)33-38/h1-35H.
What are the key properties of 2-carbazol-9-yl-9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole?
2-carbazol-9-yl-9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole 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-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole is sourced from PubChem (CID 176640466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).