8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole

C53H32N4S — CID 142572167

IUPAC8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccc6ccccc6c5c5cccc(-c6ccc7sc8ccccc8c7c6)c54)n3)cc2)cc1
InChIInChI=1S/C53H32N4S/c1-2-11-33(12-3-1)35-21-24-37(25-22-35)51-54-52(40-26-23-34-13-4-5-15-38(34)31-40)56-53(55-51)57-46-29-27-36-14-6-7-16-41(36)49(46)44-19-10-18-42(50(44)57)39-28-30-48-45(32-39)43-17-8-9-20-47(43)58-48/h1-32H
InChIKeyMERGOKOPFIAPHP-UHFFFAOYSA-N
MW756.93 g/mol
LogP14.31
Rot. Bonds5

About 8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole

8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole (PubChem CID 142572167) has the molecular formula C53H32N4S and a molecular weight of 756.93 g/mol. Its IUPAC name is 8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole
PubChem CID142572167
Molecular FormulaC53H32N4S
Molecular Weight756.93 g/mol
Exact Mass756.23
IUPAC Name8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccc6ccccc6c5c5cccc(-c6ccc7sc8ccccc8c7c6)c54)n3)cc2)cc1
InChIInChI=1S/C53H32N4S/c1-2-11-33(12-3-1)35-21-24-37(25-22-35)51-54-52(40-26-23-34-13-4-5-15-38(34)31-40)56-53(55-51)57-46-29-27-36-14-6-7-16-41(36)49(46)44-19-10-18-42(50(44)57)39-28-30-48-45(32-39)43-17-8-9-20-47(43)58-48/h1-32H
InChIKeyMERGOKOPFIAPHP-UHFFFAOYSA-N
XLogP14.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.93
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142569902
8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570090
4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
CID 142570066
7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole
CID 142571736
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane
CID 142570568
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
CID 142571631
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
CID 142570234
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 159121688
8-dibenzofuran-2-yl-7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142571784
2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545497
12-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-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 166916791
12-[4-[4-dibenzothiophen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-3-naphthalen-1-yl-7-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155450074

Frequently Asked Questions

What is the IUPAC name of 8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole?
The IUPAC name of 8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole (CID 142572167) is 8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole?
The canonical SMILES for 8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccc6ccccc6c5c5cccc(-c6ccc7sc8ccccc8c7c6)c54)n3)cc2)cc1.
What is the InChIKey of 8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole?
The InChIKey is MERGOKOPFIAPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4S/c1-2-11-33(12-3-1)35-21-24-37(25-22-35)51-54-52(40-26-23-34-13-4-5-15-38(34)31-40)56-53(55-51)57-46-29-27-36-14-6-7-16-41(36)49(46)44-19-10-18-42(50(44)57)39-28-30-48-45(32-39)43-17-8-9-20-47(43)58-48/h1-32H.
What are the key properties of 8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole?
8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole has a molecular weight of 756.93 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 142572167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).