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

C59H34N4OS — CID 155430876

IUPAC5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[1,2-b][1]benzothiol-6-ylphenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3cc4ccccc4c4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C59H34N4OS/c1-2-14-35(15-3-1)57-60-58(39-26-28-44-43-21-9-12-24-52(43)64-53(44)33-39)62-59(61-57)45-29-27-40(63-50-23-11-8-20-42(50)48-30-36-16-4-5-17-37(36)32-51(48)63)34-47(45)49-31-38-18-6-7-19-41(38)56-55(49)46-22-10-13-25-54(46)65-56/h1-34H
InChIKeyMUVUDZZLDPLCQT-UHFFFAOYSA-N
MW847.02 g/mol
LogP16.21
Rot. Bonds5

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

5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[1,2-b][1]benzothiol-6-ylphenyl]benzo[b]carbazole (PubChem CID 155430876) has the molecular formula C59H34N4OS and a molecular weight of 847.02 g/mol. Its IUPAC name is 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[1,2-b][1]benzothiol-6-ylphenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[1,2-b][1]benzothiol-6-ylphenyl]benzo[b]carbazole
PubChem CID155430876
Molecular FormulaC59H34N4OS
Molecular Weight847.02 g/mol
Exact Mass846.25
IUPAC Name5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[1,2-b][1]benzothiol-6-ylphenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3cc4ccccc4c4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C59H34N4OS/c1-2-14-35(15-3-1)57-60-58(39-26-28-44-43-21-9-12-24-52(43)64-53(44)33-39)62-59(61-57)45-29-27-40(63-50-23-11-8-20-42(50)48-30-36-16-4-5-17-37(36)32-51(48)63)34-47(45)49-31-38-18-6-7-19-41(38)56-55(49)46-22-10-13-25-54(46)65-56/h1-34H
InChIKeyMUVUDZZLDPLCQT-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-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[1,2-b][1]benzothiol-6-ylphenyl]benzo[b]carbazole with MolForge

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Related Compounds

5-[3-dibenzothiophen-2-yl-4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430529
12-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-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 155039703
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)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 155449985
2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-6-yl-6-phenyl-1,3,5-triazine
CID 174310513
5-[3-dibenzothiophen-1-yl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430603
5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155474737
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
5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430250
5-[3-dibenzofuran-2-yl-4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430641
12-[3-dibenzofuran-3-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155430205
9-[4-[2-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 170228249
2-carbazol-9-yl-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
CID 170097738

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[1,2-b][1]benzothiol-6-ylphenyl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[1,2-b][1]benzothiol-6-ylphenyl]benzo[b]carbazole (CID 155430876) is 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[1,2-b][1]benzothiol-6-ylphenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[1,2-b][1]benzothiol-6-ylphenyl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[1,2-b][1]benzothiol-6-ylphenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3cc4ccccc4c4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[1,2-b][1]benzothiol-6-ylphenyl]benzo[b]carbazole?
The InChIKey is MUVUDZZLDPLCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34N4OS/c1-2-14-35(15-3-1)57-60-58(39-26-28-44-43-21-9-12-24-52(43)64-53(44)33-39)62-59(61-57)45-29-27-40(63-50-23-11-8-20-42(50)48-30-36-16-4-5-17-37(36)32-51(48)63)34-47(45)49-31-38-18-6-7-19-41(38)56-55(49)46-22-10-13-25-54(46)65-56/h1-34H.
What are the key properties of 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[1,2-b][1]benzothiol-6-ylphenyl]benzo[b]carbazole?
5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[1,2-b][1]benzothiol-6-ylphenyl]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-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphtho[1,2-b][1]benzothiol-6-ylphenyl]benzo[b]carbazole is sourced from PubChem (CID 155430876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).