1-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole

C96H60N8OS — CID 165003671

IUPAC1-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4cccc(-c5cccc6c5oc5ccccc56)c43)n2)cc1
InChIInChI=1S/C51H32N4O.C45H28N4S/c1-4-17-33(18-5-1)36-25-14-30-43(51-53-49(34-19-6-2-7-20-34)52-50(54-51)35-21-8-3-9-22-35)46(36)55-44-31-12-10-23-37(44)39-26-15-27-40(47(39)55)42-29-16-28-41-38-24-11-13-32-45(38)56-48(41)42;1-4-15-29(16-5-1)32-23-14-24-35(45-47-43(30-17-6-2-7-18-30)46-44(48-45)31-19-8-3-9-20-31)42(32)49-38-25-12-10-21-33(38)36-27-37-34-22-11-13-26-40(34)50-41(37)28-39(36)49/h1-32H;1-28H
InChIKeyIQEPAIFCVCDORZ-UHFFFAOYSA-N
MW1373.66 g/mol
LogP25.21
Rot. Bonds11

About 1-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole

1-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole (PubChem CID 165003671) has the molecular formula C96H60N8OS and a molecular weight of 1373.66 g/mol. Its IUPAC name is 1-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name1-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole
PubChem CID165003671
Molecular FormulaC96H60N8OS
Molecular Weight1373.66 g/mol
Exact Mass1372.46
IUPAC Name1-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4cccc(-c5cccc6c5oc5ccccc56)c43)n2)cc1
InChIInChI=1S/C51H32N4O.C45H28N4S/c1-4-17-33(18-5-1)36-25-14-30-43(51-53-49(34-19-6-2-7-20-34)52-50(54-51)35-21-8-3-9-22-35)46(36)55-44-31-12-10-23-37(44)39-26-15-27-40(47(39)55)42-29-16-28-41-38-24-11-13-32-45(38)56-48(41)42;1-4-15-29(16-5-1)32-23-14-24-35(45-47-43(30-17-6-2-7-18-30)46-44(48-45)31-19-8-3-9-20-31)42(32)49-38-25-12-10-21-33(38)36-27-37-34-22-11-13-26-40(34)50-41(37)28-39(36)49/h1-32H;1-28H
InChIKeyIQEPAIFCVCDORZ-UHFFFAOYSA-N
XLogP25.21
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001373.66
LogP ≤ 525.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole with MolForge

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Related Compounds

7-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzothiolo[2,3-b]carbazole
CID 146280819
7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-[1]benzothiolo[2,3-b]carbazole
CID 167554675
3-dibenzothiophen-2-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 165030110
4-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;4-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzofuro[3,2-a]carbazole
CID 165046182
5-[3-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700137
2-(6-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
CID 154949233
1-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 164950880
9-[4-(8-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952407
5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700141
7-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[2,3-b]carbazole
CID 146280998
1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 130191498
4-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163887704

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 1-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole (CID 165003671) is 1-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 1-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 1-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4cccc(-c5cccc6c5oc5ccccc56)c43)n2)cc1.
What is the InChIKey of 1-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is IQEPAIFCVCDORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O.C45H28N4S/c1-4-17-33(18-5-1)36-25-14-30-43(51-53-49(34-19-6-2-7-20-34)52-50(54-51)35-21-8-3-9-22-35)46(36)55-44-31-12-10-23-37(44)39-26-15-27-40(47(39)55)42-29-16-28-41-38-24-11-13-32-45(38)56-48(41)42;1-4-15-29(16-5-1)32-23-14-24-35(45-47-43(30-17-6-2-7-18-30)46-44(48-45)31-19-8-3-9-20-31)42(32)49-38-25-12-10-21-33(38)36-27-37-34-22-11-13-26-40(34)50-41(37)28-39(36)49/h1-32H;1-28H.
What are the key properties of 1-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole?
1-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 1373.66 g/mol, XLogP of 25.21, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 165003671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).