2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine

C43H25N3OS — CID 174328708

IUPAC2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c4c(c3)sc3ccccc34)nc(-c3ccc4oc5ccc6ccccc6c5c4c3)n2)cc1
InChIInChI=1S/C43H25N3OS/c1-3-11-26(12-4-1)33-24-30(25-38-40(33)32-17-9-10-18-37(32)48-38)43-45-41(28-14-5-2-6-15-28)44-42(46-43)29-20-21-35-34(23-29)39-31-16-8-7-13-27(31)19-22-36(39)47-35/h1-25H
InChIKeyFFMZCONLTXJBJF-UHFFFAOYSA-N
MW631.76 g/mol
LogP11.96
Rot. Bonds4

About 2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine

2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine (PubChem CID 174328708) has the molecular formula C43H25N3OS and a molecular weight of 631.76 g/mol. Its IUPAC name is 2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine
PubChem CID174328708
Molecular FormulaC43H25N3OS
Molecular Weight631.76 g/mol
Exact Mass631.17
IUPAC Name2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c4c(c3)sc3ccccc34)nc(-c3ccc4oc5ccc6ccccc6c5c4c3)n2)cc1
InChIInChI=1S/C43H25N3OS/c1-3-11-26(12-4-1)33-24-30(25-38-40(33)32-17-9-10-18-37(32)48-38)43-45-41(28-14-5-2-6-15-28)44-42(46-43)29-20-21-35-34(23-29)39-31-16-8-7-13-27(31)19-22-36(39)47-35/h1-25H
InChIKeyFFMZCONLTXJBJF-UHFFFAOYSA-N
XLogP11.96
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.76
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378742
2-(1-phenanthren-2-yldibenzothiophen-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174328600
2-phenyl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850299
2-naphthalen-2-yl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174328770
2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 153289611
2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170378609
2,4-diphenyl-6-[7-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170198656
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 174328436
2-phenyl-4-[7-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378557
2-dibenzothiophen-1-yl-4-phenyl-6-[3-[8-(2-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198900
2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742649
2,4-diphenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199264

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine?
The IUPAC name of 2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine (CID 174328708) is 2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3cc(-c4ccccc4)c4c(c3)sc3ccccc34)nc(-c3ccc4oc5ccc6ccccc6c5c4c3)n2)cc1.
What is the InChIKey of 2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine?
The InChIKey is FFMZCONLTXJBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3OS/c1-3-11-26(12-4-1)33-24-30(25-38-40(33)32-17-9-10-18-37(32)48-38)43-45-41(28-14-5-2-6-15-28)44-42(46-43)29-20-21-35-34(23-29)39-31-16-8-7-13-27(31)19-22-36(39)47-35/h1-25H.
What are the key properties of 2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine?
2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine has a molecular weight of 631.76 g/mol, XLogP of 11.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine is sourced from PubChem (CID 174328708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).