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

C61H34N4O3 — CID 155430580

IUPAC5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C61H34N4O3/c1-2-13-36-33-51-47(30-35(36)12-1)40-14-3-7-19-50(40)65(51)39-26-27-44(46(34-39)43-18-11-23-57-58(43)45-17-6-10-22-54(45)68-57)61-63-59(37-24-28-55-48(31-37)41-15-4-8-20-52(41)66-55)62-60(64-61)38-25-29-56-49(32-38)42-16-5-9-21-53(42)67-56/h1-34H
InChIKeyJOEYPYINXBCVMP-UHFFFAOYSA-N
MW870.97 g/mol
LogP16.49
Rot. Bonds5

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

5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 155430580) has the molecular formula C61H34N4O3 and a molecular weight of 870.97 g/mol. Its IUPAC name is 5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
PubChem CID155430580
Molecular FormulaC61H34N4O3
Molecular Weight870.97 g/mol
Exact Mass870.26
IUPAC Name5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C61H34N4O3/c1-2-13-36-33-51-47(30-35(36)12-1)40-14-3-7-19-50(40)65(51)39-26-27-44(46(34-39)43-18-11-23-57-58(43)45-17-6-10-22-54(45)68-57)61-63-59(37-24-28-55-48(31-37)41-15-4-8-20-52(41)66-55)62-60(64-61)38-25-29-56-49(32-38)42-16-5-9-21-53(42)67-56/h1-34H
InChIKeyJOEYPYINXBCVMP-UHFFFAOYSA-N
XLogP16.49
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.97
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155431004
12-[3-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-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 155430239
5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430579
5-[3-naphtho[2,3-b][1]benzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155431025
5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole
CID 155430650
5-[3-naphtho[2,3-b][1]benzofuran-1-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155431014
5-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[3,2-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
CID 155430148
5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430334
12-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-3-dibenzofuran-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 155430129
5-[3-dibenzofuran-4-yl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430338
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-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311

Frequently Asked Questions

What is the IUPAC name of 5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The IUPAC name of 5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (CID 155430580) is 5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)c(-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of 5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The InChIKey is JOEYPYINXBCVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H34N4O3/c1-2-13-36-33-51-47(30-35(36)12-1)40-14-3-7-19-50(40)65(51)39-26-27-44(46(34-39)43-18-11-23-57-58(43)45-17-6-10-22-54(45)68-57)61-63-59(37-24-28-55-48(31-37)41-15-4-8-20-52(41)66-55)62-60(64-61)38-25-29-56-49(32-38)42-16-5-9-21-53(42)67-56/h1-34H.
What are the key properties of 5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole has a molecular weight of 870.97 g/mol, XLogP of 16.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 155430580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).