5-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole

C59H34N4OS — CID 164715024

IUPAC5-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4c5ccccc5c(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C59H34N4OS/c1-2-16-35(17-3-1)36-20-14-21-39(32-36)57-60-58(46-28-15-27-44-41-23-10-13-31-51(41)65-56(44)46)62-59(61-57)53-42-24-6-7-25-43(42)54(55-52(53)45-26-9-12-30-50(45)64-55)63-48-29-11-8-22-40(48)47-33-37-18-4-5-19-38(37)34-49(47)63/h1-34H
InChIKeyNGZHGKBFXMQRSZ-UHFFFAOYSA-N
MW847.01 g/mol
LogP16.21
Rot. Bonds5

About 5-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole

5-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole (PubChem CID 164715024) has the molecular formula C59H34N4OS and a molecular weight of 847.01 g/mol. Its IUPAC name is 5-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole
PubChem CID164715024
Molecular FormulaC59H34N4OS
Molecular Weight847.01 g/mol
Exact Mass846.25
IUPAC Name5-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4c5ccccc5c(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C59H34N4OS/c1-2-16-35(17-3-1)36-20-14-21-39(32-36)57-60-58(46-28-15-27-44-41-23-10-13-31-51(41)65-56(44)46)62-59(61-57)53-42-24-6-7-25-43(42)54(55-52(53)45-26-9-12-30-50(45)64-55)63-48-29-11-8-22-40(48)47-33-37-18-4-5-19-38(37)34-49(47)63/h1-34H
InChIKeyNGZHGKBFXMQRSZ-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-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699331
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167347909
5-[2-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621131
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-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167347710
5-[2-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 155043007
5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(3-phenylphenyl)phenyl]benzo[b]carbazole
CID 155450024
5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole
CID 155450731
5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700141
11H-benzo[b]fluorene;2-(6-chloronaphtho[3,2-b][1]benzofuran-11-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;5-[11-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole
CID 165069922
5-[5-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzothiol-6-yl]benzo[b]carbazole
CID 155035540
5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 163765583

Frequently Asked Questions

What is the IUPAC name of 5-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole?
The IUPAC name of 5-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole (CID 164715024) is 5-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole?
The canonical SMILES for 5-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4c5ccccc5c(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c45)n3)c2)cc1.
What is the InChIKey of 5-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole?
The InChIKey is NGZHGKBFXMQRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34N4OS/c1-2-16-35(17-3-1)36-20-14-21-39(32-36)57-60-58(46-28-15-27-44-41-23-10-13-31-51(41)65-56(44)46)62-59(61-57)53-42-24-6-7-25-43(42)54(55-52(53)45-26-9-12-30-50(45)64-55)63-48-29-11-8-22-40(48)47-33-37-18-4-5-19-38(37)34-49(47)63/h1-34H.
What are the key properties of 5-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole?
5-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-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-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole is sourced from PubChem (CID 164715024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).