2-naphthalen-2-yl-4-(3-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

C43H29N3S — CID 174328387

IUPAC2-naphthalen-2-yl-4-(3-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4cc(-c5ccccc5)cc5sc6ccccc6c45)N=C(c4ccc5ccccc5c4)N3)cc2)cc1
InChIInChI=1S/C43H29N3S/c1-3-11-28(12-4-1)31-19-22-32(23-20-31)41-44-42(34-24-21-30-15-7-8-16-33(30)25-34)46-43(45-41)37-26-35(29-13-5-2-6-14-29)27-39-40(37)36-17-9-10-18-38(36)47-39/h1-27,43H,(H,44,45,46)
InChIKeyLNDGHDZGMFHULV-UHFFFAOYSA-N
MW619.79 g/mol
LogP11.04
Rot. Bonds5

About 2-naphthalen-2-yl-4-(3-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

2-naphthalen-2-yl-4-(3-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 174328387) has the molecular formula C43H29N3S and a molecular weight of 619.79 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(3-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(3-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID174328387
Molecular FormulaC43H29N3S
Molecular Weight619.79 g/mol
Exact Mass619.21
IUPAC Name2-naphthalen-2-yl-4-(3-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4cc(-c5ccccc5)cc5sc6ccccc6c45)N=C(c4ccc5ccccc5c4)N3)cc2)cc1
InChIInChI=1S/C43H29N3S/c1-3-11-28(12-4-1)31-19-22-32(23-20-31)41-44-42(34-24-21-30-15-7-8-16-33(30)25-34)46-43(45-41)37-26-35(29-13-5-2-6-14-29)27-39-40(37)36-17-9-10-18-38(36)47-39/h1-27,43H,(H,44,45,46)
InChIKeyLNDGHDZGMFHULV-UHFFFAOYSA-N
XLogP11.04
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.79
LogP ≤ 511.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-6-phenyl-4-[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-5-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
CID 166846602
4-[3-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156553938
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 174328334
2-naphthalen-2-yl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174328770
2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,4-dihydro-1,3,5-triazine
CID 166846555
4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 167029970
(4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142343037
4-chloro-2-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030048
14-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 174277095
4-[3-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 138655148
2-dibenzothiophen-4-yl-6-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 167029654
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(3-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(3-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (CID 174328387) is 2-naphthalen-2-yl-4-(3-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(3-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(3-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is c1ccc(-c2ccc(C3=NC(c4cc(-c5ccccc5)cc5sc6ccccc6c45)N=C(c4ccc5ccccc5c4)N3)cc2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(3-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is LNDGHDZGMFHULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3S/c1-3-11-28(12-4-1)31-19-22-32(23-20-31)41-44-42(34-24-21-30-15-7-8-16-33(30)25-34)46-43(45-41)37-26-35(29-13-5-2-6-14-29)27-39-40(37)36-17-9-10-18-38(36)47-39/h1-27,43H,(H,44,45,46).
What are the key properties of 2-naphthalen-2-yl-4-(3-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
2-naphthalen-2-yl-4-(3-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 619.79 g/mol, XLogP of 11.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(3-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 174328387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).