2-cyclohexa-1,5-dien-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine

C43H29N3OS — CID 146951205

IUPAC2-cyclohexa-1,5-dien-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
SMILESC1=CC(C2N=C(c3cccc4c3sc3c(-c5ccc6oc7ccc8ccccc8c7c6c5)cccc34)N=C(c3ccccc3)N2)=CCC1
InChIInChI=1S/C43H29N3OS/c1-3-12-27(13-4-1)41-44-42(28-14-5-2-6-15-28)46-43(45-41)34-20-10-19-33-32-18-9-17-31(39(32)48-40(33)34)29-22-23-36-35(25-29)38-30-16-8-7-11-26(30)21-24-37(38)47-36/h1,3-5,7-25,42H,2,6H2,(H,44,45,46)
InChIKeyAITLCDYQAIAQCY-UHFFFAOYSA-N
MW635.79 g/mol
LogP11.17
Rot. Bonds4

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

2-cyclohexa-1,5-dien-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 146951205) has the molecular formula C43H29N3OS and a molecular weight of 635.79 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
PubChem CID146951205
Molecular FormulaC43H29N3OS
Molecular Weight635.79 g/mol
Exact Mass635.20
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
SMILESC1=CC(C2N=C(c3cccc4c3sc3c(-c5ccc6oc7ccc8ccccc8c7c6c5)cccc34)N=C(c3ccccc3)N2)=CCC1
InChIInChI=1S/C43H29N3OS/c1-3-12-27(13-4-1)41-44-42(28-14-5-2-6-15-28)46-43(45-41)34-20-10-19-33-32-18-9-17-31(39(32)48-40(33)34)29-22-23-36-35(25-29)38-30-16-8-7-11-26(30)21-24-37(38)47-36/h1,3-5,7-25,42H,2,6H2,(H,44,45,46)
InChIKeyAITLCDYQAIAQCY-UHFFFAOYSA-N
XLogP11.17
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.79
LogP ≤ 511.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexa-1,5-dien-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine
CID 175618024
4-[6-dibenzofuran-2-yl-4-(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574860
(2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 166744213
2-dibenzofuran-3-yl-4-[1-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-4-yl]phenanthren-4-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 171762113
2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250337
12-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166701946
2-dibenzothiophen-1-yl-6-[7-[8-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029862
4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029732
4-(6-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170248125
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 148787787
4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 137301524
4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574841

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine (CID 146951205) is 2-cyclohexa-1,5-dien-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine is C1=CC(C2N=C(c3cccc4c3sc3c(-c5ccc6oc7ccc8ccccc8c7c6c5)cccc34)N=C(c3ccccc3)N2)=CCC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is AITLCDYQAIAQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3OS/c1-3-12-27(13-4-1)41-44-42(28-14-5-2-6-15-28)46-43(45-41)34-20-10-19-33-32-18-9-17-31(39(32)48-40(33)34)29-22-23-36-35(25-29)38-30-16-8-7-11-26(30)21-24-37(38)47-36/h1,3-5,7-25,42H,2,6H2,(H,44,45,46).
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 635.79 g/mol, XLogP of 11.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 146951205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).