2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine

C52H44N6 — CID 174300944

IUPAC2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESC1=CCC(C2NC(c3ccc(-c4ccc5ccc(-c6ccc(C7NC(c8ccccc8)=NC(c8ccccc8)N7)cc6)cc5c4)cc3)=NC(c3ccccc3)N2)C=C1
InChIInChI=1S/C52H44N6/c1-5-13-38(14-6-1)47-53-48(39-15-7-2-8-16-39)56-51(55-47)42-27-21-35(22-28-42)44-31-25-37-26-32-45(34-46(37)33-44)36-23-29-43(30-24-36)52-57-49(40-17-9-3-10-18-40)54-50(58-52)41-19-11-4-12-20-41/h1-19,21-34,41,47,49-51,54-55H,20H2,(H,53,56)(H,57,58)
InChIKeyABTCABZXBAEDLB-UHFFFAOYSA-N
MW752.97 g/mol
LogP10.61
Rot. Bonds8

About 2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine

2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 174300944) has the molecular formula C52H44N6 and a molecular weight of 752.97 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID174300944
Molecular FormulaC52H44N6
Molecular Weight752.97 g/mol
Exact Mass752.36
IUPAC Name2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESC1=CCC(C2NC(c3ccc(-c4ccc5ccc(-c6ccc(C7NC(c8ccccc8)=NC(c8ccccc8)N7)cc6)cc5c4)cc3)=NC(c3ccccc3)N2)C=C1
InChIInChI=1S/C52H44N6/c1-5-13-38(14-6-1)47-53-48(39-15-7-2-8-16-39)56-51(55-47)42-27-21-35(22-28-42)44-31-25-37-26-32-45(34-46(37)33-44)36-23-29-43(30-24-36)52-57-49(40-17-9-3-10-18-40)54-50(58-52)41-19-11-4-12-20-41/h1-19,21-34,41,47,49-51,54-55H,20H2,(H,53,56)(H,57,58)
InChIKeyABTCABZXBAEDLB-UHFFFAOYSA-N
XLogP10.61
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.97
LogP ≤ 510.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine with MolForge

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Related Compounds

6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
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6-[3-(1,4,4a,8a-tetrahydronaphthalen-1-yl)-5-[4-(6-methyl-2,3-dihydropyridin-3-yl)phenyl]phenyl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 130180832
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CID 129100996
4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 139304267
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CID 170410069
4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
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2-[10-[4-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099099
4-[4-[5-[6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-1-N-phenylbenzene-1,2-diamine
CID 129228125
7-[4-[1-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 139314232
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
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9-(4a,11b-dihydrobenzo[b]carbazol-5-yl)-5-[3-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,4-dihydrobenzo[b]carbazole
CID 139569825

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 174300944) is 2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is C1=CCC(C2NC(c3ccc(-c4ccc5ccc(-c6ccc(C7NC(c8ccccc8)=NC(c8ccccc8)N7)cc6)cc5c4)cc3)=NC(c3ccccc3)N2)C=C1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is ABTCABZXBAEDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N6/c1-5-13-38(14-6-1)47-53-48(39-15-7-2-8-16-39)56-51(55-47)42-27-21-35(22-28-42)44-31-25-37-26-32-45(34-46(37)33-44)36-23-29-43(30-24-36)52-57-49(40-17-9-3-10-18-40)54-50(58-52)41-19-11-4-12-20-41/h1-19,21-34,41,47,49-51,54-55H,20H2,(H,53,56)(H,57,58).
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 752.97 g/mol, XLogP of 10.61, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 174300944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).