7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole

C45H32N4 — CID 146647440

IUPAC7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole
SMILESc1ccc(C2=NC(c3ccc(-c4ccc(-c5ccc(-c6cccc7cc[nH]c67)cc5)c5ccccc45)cc3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C45H32N4/c1-3-10-34(11-4-1)43-47-44(35-12-5-2-6-13-35)49-45(48-43)36-24-22-31(23-25-36)38-27-26-37(40-15-7-8-16-41(38)40)30-18-20-32(21-19-30)39-17-9-14-33-28-29-46-42(33)39/h1-29,43,46H,(H,47,48,49)
InChIKeyZDLUZPFGNBGHCN-UHFFFAOYSA-N
MW628.78 g/mol
LogP10.82
Rot. Bonds6

About 7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole

7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole (PubChem CID 146647440) has the molecular formula C45H32N4 and a molecular weight of 628.78 g/mol. Its IUPAC name is 7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole.

Molecular Properties

Compound Name7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole
PubChem CID146647440
Molecular FormulaC45H32N4
Molecular Weight628.78 g/mol
Exact Mass628.26
IUPAC Name7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole
SMILESc1ccc(C2=NC(c3ccc(-c4ccc(-c5ccc(-c6cccc7cc[nH]c67)cc5)c5ccccc45)cc3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C45H32N4/c1-3-10-34(11-4-1)43-47-44(35-12-5-2-6-13-35)49-45(48-43)36-24-22-31(23-25-36)38-27-26-37(40-15-7-8-16-41(38)40)30-18-20-32(21-19-30)39-17-9-14-33-28-29-46-42(33)39/h1-29,43,46H,(H,47,48,49)
InChIKeyZDLUZPFGNBGHCN-UHFFFAOYSA-N
XLogP10.82
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 510.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline
CID 154940521
4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 154940466
2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 129227953
6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156553975
2-(4-naphthalen-1-ylphenyl)-6-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine
CID 145340320
4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 148755581
6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 145415039
(Z)-2-[4-[5-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-3-iminoprop-1-en-1-amine
CID 139314716
9-[4-[4-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 163628503
4-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-6-naphthalen-1-yl-[1]benzothiolo[2,3-c]quinoline
CID 146489531
4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167029619
2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 174322101

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole?
The IUPAC name of 7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole (CID 146647440) is 7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole.
What is the SMILES notation for 7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole?
The canonical SMILES for 7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole is c1ccc(C2=NC(c3ccc(-c4ccc(-c5ccc(-c6cccc7cc[nH]c67)cc5)c5ccccc45)cc3)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole?
The InChIKey is ZDLUZPFGNBGHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4/c1-3-10-34(11-4-1)43-47-44(35-12-5-2-6-13-35)49-45(48-43)36-24-22-31(23-25-36)38-27-26-37(40-15-7-8-16-41(38)40)30-18-20-32(21-19-30)39-17-9-14-33-28-29-46-42(33)39/h1-29,43,46H,(H,47,48,49).
What are the key properties of 7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole?
7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole has a molecular weight of 628.78 g/mol, XLogP of 10.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole is sourced from PubChem (CID 146647440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).