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

C51H37N5 — CID 174312386

IUPAC2-cyclohexa-1,3-dien-1-yl-4-[4-[7-[4-(1,2-diphenyl-2H-1,3-diazet-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESC1=CCCC(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc(C7=NC(c8ccccc8)N7c7ccccc7)cc6)cc5c4)cc3)n2)=C1
InChIInChI=1S/C51H37N5/c1-5-13-38(14-6-1)47-52-48(39-15-7-2-8-16-39)54-49(53-47)40-27-21-35(22-28-40)43-31-25-37-26-32-44(34-45(37)33-43)36-23-29-42(30-24-36)51-55-50(41-17-9-3-10-18-41)56(51)46-19-11-4-12-20-46/h1-7,9-15,17-34,50H,8,16H2
InChIKeyJDLIPBZWTXRQCD-UHFFFAOYSA-N
MW719.89 g/mol
LogP12.39
Rot. Bonds8

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

2-cyclohexa-1,3-dien-1-yl-4-[4-[7-[4-(1,2-diphenyl-2H-1,3-diazet-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 174312386) has the molecular formula C51H37N5 and a molecular weight of 719.89 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-4-[4-[7-[4-(1,2-diphenyl-2H-1,3-diazet-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-4-[4-[7-[4-(1,2-diphenyl-2H-1,3-diazet-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID174312386
Molecular FormulaC51H37N5
Molecular Weight719.89 g/mol
Exact Mass719.30
IUPAC Name2-cyclohexa-1,3-dien-1-yl-4-[4-[7-[4-(1,2-diphenyl-2H-1,3-diazet-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESC1=CCCC(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc(C7=NC(c8ccccc8)N7c7ccccc7)cc6)cc5c4)cc3)n2)=C1
InChIInChI=1S/C51H37N5/c1-5-13-38(14-6-1)47-52-48(39-15-7-2-8-16-39)54-49(53-47)40-27-21-35(22-28-40)43-31-25-37-26-32-44(34-45(37)33-43)36-23-29-42(30-24-36)51-55-50(41-17-9-3-10-18-41)56(51)46-19-11-4-12-20-46/h1-7,9-15,17-34,50H,8,16H2
InChIKeyJDLIPBZWTXRQCD-UHFFFAOYSA-N
XLogP12.39
TPSA54.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.89
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 129171468
3-cyclohexa-1,3-dien-1-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole
CID 134447534
2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139551278
2-cyclohexa-1,3-dien-1-yl-4-[3-[8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 130439927
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134198719
2-[4-(2-cyclohexa-1,3-dien-1-yl-6-phenylpyrimidin-4-yl)phenyl]-4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-diphenylquinazoline
CID 146332174
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
2-[3-cyclohexa-1,3-dien-1-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 166649509
2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine
CID 167007661
4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 118133256
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-[4-[7-[4-(1,2-diphenyl-2H-1,3-diazet-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-[4-[7-[4-(1,2-diphenyl-2H-1,3-diazet-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 174312386) is 2-cyclohexa-1,3-dien-1-yl-4-[4-[7-[4-(1,2-diphenyl-2H-1,3-diazet-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-4-[4-[7-[4-(1,2-diphenyl-2H-1,3-diazet-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-4-[4-[7-[4-(1,2-diphenyl-2H-1,3-diazet-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine is C1=CCCC(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc(C7=NC(c8ccccc8)N7c7ccccc7)cc6)cc5c4)cc3)n2)=C1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-4-[4-[7-[4-(1,2-diphenyl-2H-1,3-diazet-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is JDLIPBZWTXRQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N5/c1-5-13-38(14-6-1)47-52-48(39-15-7-2-8-16-39)54-49(53-47)40-27-21-35(22-28-40)43-31-25-37-26-32-44(34-45(37)33-43)36-23-29-42(30-24-36)51-55-50(41-17-9-3-10-18-41)56(51)46-19-11-4-12-20-46/h1-7,9-15,17-34,50H,8,16H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-4-[4-[7-[4-(1,2-diphenyl-2H-1,3-diazet-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
2-cyclohexa-1,3-dien-1-yl-4-[4-[7-[4-(1,2-diphenyl-2H-1,3-diazet-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 719.89 g/mol, XLogP of 12.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-4-[4-[7-[4-(1,2-diphenyl-2H-1,3-diazet-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 174312386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).