5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole

C60H34N4O2S — CID 166699339

IUPAC5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc2c(c1)OCc1cc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(c4)oc4cc6ccccc6cc45)nc(-c4ccc5c(c4)sc4ccccc45)n3)ccc1-2
InChIInChI=1S/C60H34N4O2S/c1-3-13-36-28-50-47(26-34(36)11-1)43-15-5-8-18-49(43)64(50)51-29-40(31-54-57(51)48-27-35-12-2-4-14-37(35)30-53(48)66-54)60-62-58(38-21-23-42-41(25-38)33-65-52-19-9-6-16-44(42)52)61-59(63-60)39-22-24-46-45-17-7-10-20-55(45)67-56(46)32-39/h1-32H,33H2
InChIKeyVOVODDTXBPUTKN-UHFFFAOYSA-N
MW875.02 g/mol
LogP16.10
Rot. Bonds4

About 5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole

5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole (PubChem CID 166699339) has the molecular formula C60H34N4O2S and a molecular weight of 875.02 g/mol. Its IUPAC name is 5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
PubChem CID166699339
Molecular FormulaC60H34N4O2S
Molecular Weight875.02 g/mol
Exact Mass874.24
IUPAC Name5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc2c(c1)OCc1cc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(c4)oc4cc6ccccc6cc45)nc(-c4ccc5c(c4)sc4ccccc45)n3)ccc1-2
InChIInChI=1S/C60H34N4O2S/c1-3-13-36-28-50-47(26-34(36)11-1)43-15-5-8-18-49(43)64(50)51-29-40(31-54-57(51)48-27-35-12-2-4-14-37(35)30-53(48)66-54)60-62-58(38-21-23-42-41(25-38)33-65-52-19-9-6-16-44(42)52)61-59(63-60)39-22-24-46-45-17-7-10-20-55(45)67-56(46)32-39/h1-32H,33H2
InChIKeyVOVODDTXBPUTKN-UHFFFAOYSA-N
XLogP16.10
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.02
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 166700180
5-[3-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 167347413
5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166699317
5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163539451
5-[2-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 167347592
5-[10-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163983366
5-[5-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[b]carbazole
CID 172500432
5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 166700326
5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 167347672
5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621284
5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167347710
5-[3-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167348034

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole (CID 166699339) is 5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole is c1ccc2c(c1)OCc1cc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(c4)oc4cc6ccccc6cc45)nc(-c4ccc5c(c4)sc4ccccc45)n3)ccc1-2.
What is the InChIKey of 5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole?
The InChIKey is VOVODDTXBPUTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N4O2S/c1-3-13-36-28-50-47(26-34(36)11-1)43-15-5-8-18-49(43)64(50)51-29-40(31-54-57(51)48-27-35-12-2-4-14-37(35)30-53(48)66-54)60-62-58(38-21-23-42-41(25-38)33-65-52-19-9-6-16-44(42)52)61-59(63-60)39-22-24-46-45-17-7-10-20-55(45)67-56(46)32-39/h1-32H,33H2.
What are the key properties of 5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole?
5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole has a molecular weight of 875.02 g/mol, XLogP of 16.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(6H-benzo[c]chromen-8-yl)-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 166699339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).