5-[2-dibenzothiophen-1-yl-4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole

C63H38N4S — CID 155475217

IUPAC5-[2-dibenzothiophen-1-yl-4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole
SMILESc1ccc(-c2cccc3c2c2cc4ccccc4cc2n3-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc2-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C63H38N4S/c1-2-16-41(17-3-1)47-27-14-31-55-59(47)53-36-42-20-4-5-21-43(42)38-56(53)67(55)54-35-34-44(37-52(54)48-28-15-33-58-60(48)51-26-10-11-32-57(51)68-58)61-64-62(49-29-12-22-39-18-6-8-24-45(39)49)66-63(65-61)50-30-13-23-40-19-7-9-25-46(40)50/h1-38H
InChIKeyHPEFTLPGTOIOIN-UHFFFAOYSA-N
MW883.09 g/mol
LogP17.13
Rot. Bonds6

About 5-[2-dibenzothiophen-1-yl-4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole

5-[2-dibenzothiophen-1-yl-4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole (PubChem CID 155475217) has the molecular formula C63H38N4S and a molecular weight of 883.09 g/mol. Its IUPAC name is 5-[2-dibenzothiophen-1-yl-4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole.

Molecular Properties

Compound Name5-[2-dibenzothiophen-1-yl-4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole
PubChem CID155475217
Molecular FormulaC63H38N4S
Molecular Weight883.09 g/mol
Exact Mass882.28
IUPAC Name5-[2-dibenzothiophen-1-yl-4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole
SMILESc1ccc(-c2cccc3c2c2cc4ccccc4cc2n3-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc2-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C63H38N4S/c1-2-16-41(17-3-1)47-27-14-31-55-59(47)53-36-42-20-4-5-21-43(42)38-56(53)67(55)54-35-34-44(37-52(54)48-28-15-33-58-60(48)51-26-10-11-32-57(51)68-58)61-64-62(49-29-12-22-39-18-6-8-24-45(39)49)66-63(65-61)50-30-13-23-40-19-7-9-25-46(40)50/h1-38H
InChIKeyHPEFTLPGTOIOIN-UHFFFAOYSA-N
XLogP17.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.09
LogP ≤ 517.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-dibenzothiophen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155475233
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzothiophen-1-ylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155474878
5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[2,3-b][1]benzothiol-1-ylphenyl]benzo[b]carbazole
CID 155474598
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzothiol-11-ylphenyl]benzo[b]carbazole
CID 155474916
5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[1,2-b][1]benzothiol-7-ylphenyl]benzo[b]carbazole
CID 155474842
5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzothiol-11-ylphenyl]benzo[b]carbazole
CID 155474859
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621257
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621951
9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 138599667
5-[5-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146621153
12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155474747
5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166916961

Frequently Asked Questions

What is the IUPAC name of 5-[2-dibenzothiophen-1-yl-4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole?
The IUPAC name of 5-[2-dibenzothiophen-1-yl-4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole (CID 155475217) is 5-[2-dibenzothiophen-1-yl-4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole.
What is the SMILES notation for 5-[2-dibenzothiophen-1-yl-4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole?
The canonical SMILES for 5-[2-dibenzothiophen-1-yl-4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole is c1ccc(-c2cccc3c2c2cc4ccccc4cc2n3-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc2-c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of 5-[2-dibenzothiophen-1-yl-4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole?
The InChIKey is HPEFTLPGTOIOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N4S/c1-2-16-41(17-3-1)47-27-14-31-55-59(47)53-36-42-20-4-5-21-43(42)38-56(53)67(55)54-35-34-44(37-52(54)48-28-15-33-58-60(48)51-26-10-11-32-57(51)68-58)61-64-62(49-29-12-22-39-18-6-8-24-45(39)49)66-63(65-61)50-30-13-23-40-19-7-9-25-46(40)50/h1-38H.
What are the key properties of 5-[2-dibenzothiophen-1-yl-4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole?
5-[2-dibenzothiophen-1-yl-4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole has a molecular weight of 883.09 g/mol, XLogP of 17.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-dibenzothiophen-1-yl-4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole is sourced from PubChem (CID 155475217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).