2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine

C47H27N3S — CID 163993673

IUPAC2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5sc6c7cccc8c7c(cc6c45)-c4ccccc4-8)c4ccccc34)n2)cc1
InChIInChI=1S/C47H27N3S/c1-3-13-28(14-4-1)45-48-46(29-15-5-2-6-16-29)50-47(49-45)37-26-25-34(30-17-7-9-19-32(30)37)36-22-12-24-41-43(36)40-27-39-33-20-10-8-18-31(33)35-21-11-23-38(42(35)39)44(40)51-41/h1-27H
InChIKeyUCUMDAGNWKVNFH-UHFFFAOYSA-N
MW665.82 g/mol
LogP12.86
Rot. Bonds4

About 2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine

2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 163993673) has the molecular formula C47H27N3S and a molecular weight of 665.82 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine
PubChem CID163993673
Molecular FormulaC47H27N3S
Molecular Weight665.82 g/mol
Exact Mass665.19
IUPAC Name2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5sc6c7cccc8c7c(cc6c45)-c4ccccc4-8)c4ccccc34)n2)cc1
InChIInChI=1S/C47H27N3S/c1-3-13-28(14-4-1)45-48-46(29-15-5-2-6-16-29)50-47(49-45)37-26-25-34(30-17-7-9-19-32(30)37)36-22-12-24-41-43(36)40-27-39-33-20-10-8-18-31(33)35-21-11-23-38(42(35)39)44(40)51-41/h1-27H
InChIKeyUCUMDAGNWKVNFH-UHFFFAOYSA-N
XLogP12.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.82
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-[4-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-8-yl)naphthalen-1-yl]-1,3,5-triazine
CID 166848311
2-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 164737126
2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine
CID 166846728
2-naphtho[1,2-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
CID 146658673
2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953027
2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 156547373
2-[6-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 155328999
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-1,3,5-triazine
CID 166848111
2-[4-[4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942599
2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166846454
2-phenyl-4-[9-(4-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200044
2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155451025

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine (CID 163993673) is 2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5sc6c7cccc8c7c(cc6c45)-c4ccccc4-8)c4ccccc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is UCUMDAGNWKVNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3S/c1-3-13-28(14-4-1)45-48-46(29-15-5-2-6-16-29)50-47(49-45)37-26-25-34(30-17-7-9-19-32(30)37)36-22-12-24-41-43(36)40-27-39-33-20-10-8-18-31(33)35-21-11-23-38(42(35)39)44(40)51-41/h1-27H.
What are the key properties of 2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine?
2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 665.82 g/mol, XLogP of 12.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 163993673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).