7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole

C49H30N4S — CID 154968439

IUPAC7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3sc4ccccc4c3c2)cc1
InChIInChI=1S/C49H30N4S/c1-4-14-31(15-5-1)35-25-26-42-40(28-35)45-37-21-11-10-16-32(37)24-27-43(45)53(42)36-29-39-38-22-12-13-23-44(38)54-46(39)41(30-36)49-51-47(33-17-6-2-7-18-33)50-48(52-49)34-19-8-3-9-20-34/h1-30H
InChIKeyQFXQPGBAKUETHA-UHFFFAOYSA-N
MW706.87 g/mol
LogP13.16
Rot. Bonds5

About 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole

7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole (PubChem CID 154968439) has the molecular formula C49H30N4S and a molecular weight of 706.87 g/mol. Its IUPAC name is 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole
PubChem CID154968439
Molecular FormulaC49H30N4S
Molecular Weight706.87 g/mol
Exact Mass706.22
IUPAC Name7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3sc4ccccc4c3c2)cc1
InChIInChI=1S/C49H30N4S/c1-4-14-31(15-5-1)35-25-26-42-40(28-35)45-37-21-11-10-16-32(37)24-27-43(45)53(42)36-29-39-38-22-12-13-23-44(38)54-46(39)41(30-36)49-51-47(33-17-6-2-7-18-33)50-48(52-49)34-19-8-3-9-20-34/h1-30H
InChIKeyQFXQPGBAKUETHA-UHFFFAOYSA-N
XLogP13.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.87
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 163778006
7-[4-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole
CID 163763843
12-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 154968507
12-[4-(4-naphtho[2,1-b][1]benzothiol-5-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163523308
9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole
CID 170228490
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole
CID 130265385
12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 154968447
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 130265922
7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166915327
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl]-2-phenylcarbazole
CID 147015427
9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 139556264
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 154968462

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole?
The IUPAC name of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole (CID 154968439) is 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole.
What is the SMILES notation for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole?
The canonical SMILES for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole is c1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3sc4ccccc4c3c2)cc1.
What is the InChIKey of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole?
The InChIKey is QFXQPGBAKUETHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4S/c1-4-14-31(15-5-1)35-25-26-42-40(28-35)45-37-21-11-10-16-32(37)24-27-43(45)53(42)36-29-39-38-22-12-13-23-44(38)54-46(39)41(30-36)49-51-47(33-17-6-2-7-18-33)50-48(52-49)34-19-8-3-9-20-34/h1-30H.
What are the key properties of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole?
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole has a molecular weight of 706.87 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole is sourced from PubChem (CID 154968439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).