2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C52H35N3OS — CID 170128765

IUPAC2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESCC1CC=C(c2nc(-c3ccccc3)nc(-c3cc4c(c5ccccc35)C=CCC4)n2)c2c1oc1ccc(-c3ccc4sc5c6ccccc6ccc5c4c3)cc21
InChIInChI=1S/C52H35N3OS/c1-30-19-23-41(51-53-50(32-12-3-2-4-13-32)54-52(55-51)43-29-35-14-6-7-15-36(35)38-17-9-10-18-39(38)43)47-44-28-33(21-25-45(44)56-48(30)47)34-22-26-46-42(27-34)40-24-20-31-11-5-8-16-37(31)49(40)57-46/h2-5,7-13,15-18,20-30H,6,14,19H2,1H3
InChIKeyQLQWEBDQGKDKSW-UHFFFAOYSA-N
MW749.94 g/mol
LogP14.19
Rot. Bonds4

About 2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170128765) has the molecular formula C52H35N3OS and a molecular weight of 749.94 g/mol. Its IUPAC name is 2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID170128765
Molecular FormulaC52H35N3OS
Molecular Weight749.94 g/mol
Exact Mass749.25
IUPAC Name2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESCC1CC=C(c2nc(-c3ccccc3)nc(-c3cc4c(c5ccccc35)C=CCC4)n2)c2c1oc1ccc(-c3ccc4sc5c6ccccc6ccc5c4c3)cc21
InChIInChI=1S/C52H35N3OS/c1-30-19-23-41(51-53-50(32-12-3-2-4-13-32)54-52(55-51)43-29-35-14-6-7-15-36(35)38-17-9-10-18-39(38)43)47-44-28-33(21-25-45(44)56-48(30)47)34-22-26-46-42(27-34)40-24-20-31-11-5-8-16-37(31)49(40)57-46/h2-5,7-13,15-18,20-30H,6,14,19H2,1H3
InChIKeyQLQWEBDQGKDKSW-UHFFFAOYSA-N
XLogP14.19
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.94
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166742638
2-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 118507834
2-(2-dibenzothiophen-4-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-9-yl)-6-phenyl-1,3,5-triazine
CID 167007336
2-(4-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[1,2-b][1]benzothiol-8-yl-6-(2-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 170305329
2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017751
2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine
CID 162504545
2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850202
2-(4-dibenzothiophen-4-ylphenyl)-4-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 139549050
2-(8-dibenzofuran-3-yldibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 162780089
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170362985
2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine
CID 166690149
2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170229357

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 170128765) is 2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is CC1CC=C(c2nc(-c3ccccc3)nc(-c3cc4c(c5ccccc35)C=CCC4)n2)c2c1oc1ccc(-c3ccc4sc5c6ccccc6ccc5c4c3)cc21.
What is the InChIKey of 2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is QLQWEBDQGKDKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3OS/c1-30-19-23-41(51-53-50(32-12-3-2-4-13-32)54-52(55-51)43-29-35-14-6-7-15-36(35)38-17-9-10-18-39(38)43)47-44-28-33(21-25-45(44)56-48(30)47)34-22-26-46-42(27-34)40-24-20-31-11-5-8-16-37(31)49(40)57-46/h2-5,7-13,15-18,20-30H,6,14,19H2,1H3.
What are the key properties of 2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 749.94 g/mol, XLogP of 14.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170128765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).