5-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole

C59H34N4OS — CID 155035134

IUPAC5-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cc5c(cc4-n4c6ccccc6c6cc7ccccc7cc64)sc4cc6ccccc6cc45)n3)cc2)cc1
InChIInChI=1S/C59H34N4OS/c1-2-12-35(13-3-1)36-22-24-37(25-23-36)57-60-58(42-26-27-54-46(30-42)44-19-9-11-21-53(44)64-54)62-59(61-57)49-33-48-47-29-39-15-5-7-17-41(39)32-55(47)65-56(48)34-52(49)63-50-20-10-8-18-43(50)45-28-38-14-4-6-16-40(38)31-51(45)63/h1-34H
InChIKeyOYJRHWYNVZDYEI-UHFFFAOYSA-N
MW847.02 g/mol
LogP16.21
Rot. Bonds5

About 5-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole

5-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole (PubChem CID 155035134) has the molecular formula C59H34N4OS and a molecular weight of 847.02 g/mol. Its IUPAC name is 5-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole
PubChem CID155035134
Molecular FormulaC59H34N4OS
Molecular Weight847.02 g/mol
Exact Mass846.25
IUPAC Name5-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cc5c(cc4-n4c6ccccc6c6cc7ccccc7cc64)sc4cc6ccccc6cc45)n3)cc2)cc1
InChIInChI=1S/C59H34N4OS/c1-2-12-35(13-3-1)36-22-24-37(25-23-36)57-60-58(42-26-27-54-46(30-42)44-19-9-11-21-53(44)64-54)62-59(61-57)49-33-48-47-29-39-15-5-7-17-41(39)32-55(47)65-56(48)34-52(49)63-50-20-10-8-18-43(50)45-28-38-14-4-6-16-40(38)31-51(45)63/h1-34H
InChIKeyOYJRHWYNVZDYEI-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 ≤ 500847.02
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497
12-[3-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-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 166700220
5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole
CID 155034514
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-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167348086
5-[2-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347317
5-[3-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347934
5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 155043108
5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-1-yl]benzo[b]carbazole
CID 155034534
5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347889
12-[3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-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 163792015
5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
CID 167043514

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole?
The IUPAC name of 5-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole (CID 155035134) is 5-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cc5c(cc4-n4c6ccccc6c6cc7ccccc7cc64)sc4cc6ccccc6cc45)n3)cc2)cc1.
What is the InChIKey of 5-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole?
The InChIKey is OYJRHWYNVZDYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34N4OS/c1-2-12-35(13-3-1)36-22-24-37(25-23-36)57-60-58(42-26-27-54-46(30-42)44-19-9-11-21-53(44)64-54)62-59(61-57)49-33-48-47-29-39-15-5-7-17-41(39)32-55(47)65-56(48)34-52(49)63-50-20-10-8-18-43(50)45-28-38-14-4-6-16-40(38)31-51(45)63/h1-34H.
What are the key properties of 5-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole?
5-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole has a molecular weight of 847.02 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-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole is sourced from PubChem (CID 155035134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).