2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole

C63H38N6S — CID 155158863

IUPAC2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)c4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C63H38N6S/c1-4-18-39(19-5-1)61-64-62(40-20-6-2-7-21-40)66-63(65-61)47-33-35-55(60-59(47)46-27-13-17-31-58(46)70-60)69-54-34-32-42(68-51-28-14-10-24-43(51)44-25-11-15-29-52(44)68)36-48(54)50-38-56-49(37-57(50)69)45-26-12-16-30-53(45)67(56)41-22-8-3-9-23-41/h1-38H
InChIKeySGDBZDAGOQOFGR-UHFFFAOYSA-N
MW911.11 g/mol
LogP16.53
Rot. Bonds6

About 2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole

2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole (PubChem CID 155158863) has the molecular formula C63H38N6S and a molecular weight of 911.11 g/mol. Its IUPAC name is 2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole
PubChem CID155158863
Molecular FormulaC63H38N6S
Molecular Weight911.11 g/mol
Exact Mass910.29
IUPAC Name2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)c4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C63H38N6S/c1-4-18-39(19-5-1)61-64-62(40-20-6-2-7-21-40)66-63(65-61)47-33-35-55(60-59(47)46-27-13-17-31-58(46)70-60)69-54-34-32-42(68-51-28-14-10-24-43(51)44-25-11-15-29-52(44)68)36-48(54)50-38-56-49(37-57(50)69)45-26-12-16-30-53(45)67(56)41-22-8-3-9-23-41/h1-38H
InChIKeySGDBZDAGOQOFGR-UHFFFAOYSA-N
XLogP16.53
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.11
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155039621
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole
CID 155160087
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 167378774
11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-[1]benzofuro[3,2-b]carbazole
CID 155160182
5-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole
CID 163929950
3,6-di(carbazol-9-yl)-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155233234
5'-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 155160175
3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole
CID 176831699
5-[1-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155039195
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-c]pyridine
CID 118508078
11-[4-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 170929957
2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 162488955

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole?
The IUPAC name of 2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole (CID 155158863) is 2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)c4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole?
The InChIKey is SGDBZDAGOQOFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N6S/c1-4-18-39(19-5-1)61-64-62(40-20-6-2-7-21-40)66-63(65-61)47-33-35-55(60-59(47)46-27-13-17-31-58(46)70-60)69-54-34-32-42(68-51-28-14-10-24-43(51)44-25-11-15-29-52(44)68)36-48(54)50-38-56-49(37-57(50)69)45-26-12-16-30-53(45)67(56)41-22-8-3-9-23-41/h1-38H.
What are the key properties of 2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole?
2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole has a molecular weight of 911.11 g/mol, XLogP of 16.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 155158863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).