5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

C61H34N4OS2 — CID 155430956

IUPAC5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)c(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C61H34N4OS2/c1-2-15-36-33-50-48(32-35(36)14-1)38-16-3-7-24-49(38)65(50)37-30-31-42(47(34-37)41-21-11-20-40-39-17-4-8-25-51(39)66-58(40)41)59-62-60(45-22-12-28-54-56(45)43-18-5-9-26-52(43)67-54)64-61(63-59)46-23-13-29-55-57(46)44-19-6-10-27-53(44)68-55/h1-34H
InChIKeyLHSNLHHMWMDZBS-UHFFFAOYSA-N
MW903.10 g/mol
LogP17.43
Rot. Bonds5

About 5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 155430956) has the molecular formula C61H34N4OS2 and a molecular weight of 903.10 g/mol. Its IUPAC name is 5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
PubChem CID155430956
Molecular FormulaC61H34N4OS2
Molecular Weight903.10 g/mol
Exact Mass902.22
IUPAC Name5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)c(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C61H34N4OS2/c1-2-15-36-33-50-48(32-35(36)14-1)38-16-3-7-24-49(38)65(50)37-30-31-42(47(34-37)41-21-11-20-40-39-17-4-8-25-51(39)66-58(40)41)59-62-60(45-22-12-28-54-56(45)43-18-5-9-26-52(43)67-54)64-61(63-59)46-23-13-29-55-57(46)44-19-6-10-27-53(44)68-55/h1-34H
InChIKeyLHSNLHHMWMDZBS-UHFFFAOYSA-N
XLogP17.43
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.10
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-dibenzofuran-4-yl-4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430958
5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole
CID 155430720
12-[3-dibenzothiophen-1-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]-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 155430828
5-[3-dibenzofuran-4-yl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430338
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347922
5-[4-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167043585
5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole
CID 155430458
5-[3-dibenzofuran-2-yl-4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430641
5-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430251
5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 163593137
5-[3-dibenzofuran-4-yl-4-(4-naphthalen-2-yl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430456
5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430250

Frequently Asked Questions

What is the IUPAC name of 5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The IUPAC name of 5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (CID 155430956) is 5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)c(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The InChIKey is LHSNLHHMWMDZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H34N4OS2/c1-2-15-36-33-50-48(32-35(36)14-1)38-16-3-7-24-49(38)65(50)37-30-31-42(47(34-37)41-21-11-20-40-39-17-4-8-25-51(39)66-58(40)41)59-62-60(45-22-12-28-54-56(45)43-18-5-9-26-52(43)67-54)64-61(63-59)46-23-13-29-55-57(46)44-19-6-10-27-53(44)68-55/h1-34H.
What are the key properties of 5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole has a molecular weight of 903.10 g/mol, XLogP of 17.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 155430956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).