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

C59H34N4OS — CID 167347413

IUPAC5-[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
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(c4)oc4cc6ccccc6cc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C59H34N4OS/c1-2-13-35(14-3-1)36-25-27-37(28-26-36)57-60-58(62-59(61-57)46-22-12-21-45-44-20-9-11-24-54(44)65-56(45)46)42-32-51(55-48-30-39-16-5-7-18-41(39)33-52(48)64-53(55)34-42)63-49-23-10-8-19-43(49)47-29-38-15-4-6-17-40(38)31-50(47)63/h1-34H
InChIKeyOVSVLHFCUUMKOP-UHFFFAOYSA-N
MW847.01 g/mol
LogP16.21
Rot. Bonds5

About 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

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 (PubChem CID 167347413) has the molecular formula C59H34N4OS and a molecular weight of 847.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID167347413
Molecular FormulaC59H34N4OS
Molecular Weight847.01 g/mol
Exact Mass846.25
IUPAC Name5-[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
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(c4)oc4cc6ccccc6cc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C59H34N4OS/c1-2-13-35(14-3-1)36-25-27-37(28-26-36)57-60-58(62-59(61-57)46-22-12-21-45-44-20-9-11-24-54(44)65-56(45)46)42-32-51(55-48-30-39-16-5-7-18-41(39)33-52(48)64-53(55)34-42)63-49-23-10-8-19-43(49)47-29-38-15-4-6-17-40(38)31-50(47)63/h1-34H
InChIKeyOVSVLHFCUUMKOP-UHFFFAOYSA-N
XLogP16.21
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.01
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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-[2-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 155043007
5-[5-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621293
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621664
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621069
5-[2-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621131
5-[9-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166700217
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-dibenzothiophen-4-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155475141
5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699331

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(c4)oc4cc6ccccc6cc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is OVSVLHFCUUMKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34N4OS/c1-2-13-35(14-3-1)36-25-27-37(28-26-36)57-60-58(62-59(61-57)46-22-12-21-45-44-20-9-11-24-54(44)65-56(45)46)42-32-51(55-48-30-39-16-5-7-18-41(39)33-52(48)64-53(55)34-42)63-49-23-10-8-19-43(49)47-29-38-15-4-6-17-40(38)31-50(47)63/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 847.01 g/mol, XLogP of 16.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167347413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).