1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine

C63H45N3 — CID 142593018

IUPAC1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine
SMILESCc1ccc2c(c1)c1ccccc1c1ccc(-c3ccc(-c4c(-c5ccc(C6=NC(c7ccccc7)=NC(c7ccc(-c8ccccc8)cc7)N6C)cc5)ccc5ccccc45)cc3)cc12
InChIInChI=1S/C63H45N3/c1-41-21-36-57-58(39-41)55-20-12-11-19-54(55)56-38-35-51(40-59(56)57)44-22-28-47(29-23-44)60-52-18-10-9-15-45(52)34-37-53(60)46-26-32-50(33-27-46)63-65-61(48-16-7-4-8-17-48)64-62(66(63)2)49-30-24-43(25-31-49)42-13-5-3-6-14-42/h3-40,62H,1-2H3
InChIKeyNXHPVXHJXGVAJL-UHFFFAOYSA-N
MW844.07 g/mol
LogP16.11
Rot. Bonds7

About 1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine

1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine (PubChem CID 142593018) has the molecular formula C63H45N3 and a molecular weight of 844.07 g/mol. Its IUPAC name is 1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine.

Molecular Properties

Compound Name1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine
PubChem CID142593018
Molecular FormulaC63H45N3
Molecular Weight844.07 g/mol
Exact Mass843.36
IUPAC Name1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine
SMILESCc1ccc2c(c1)c1ccccc1c1ccc(-c3ccc(-c4c(-c5ccc(C6=NC(c7ccccc7)=NC(c7ccc(-c8ccccc8)cc7)N6C)cc5)ccc5ccccc45)cc3)cc12
InChIInChI=1S/C63H45N3/c1-41-21-36-57-58(39-41)55-20-12-11-19-54(55)56-38-35-51(40-59(56)57)44-22-28-47(29-23-44)60-52-18-10-9-15-45(52)34-37-53(60)46-26-32-50(33-27-46)63-65-61(48-16-7-4-8-17-48)64-62(66(63)2)49-30-24-43(25-31-49)42-13-5-3-6-14-42/h3-40,62H,1-2H3
InChIKeyNXHPVXHJXGVAJL-UHFFFAOYSA-N
XLogP16.11
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.07
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine
CID 122431241
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-[4-[4-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 146647308
ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene
CID 142592981
2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene
CID 145415013
1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine
CID 159367985
2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine
CID 155416651
1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine
CID 142592974
2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine
CID 139441741
3-[4-[8-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzonitrile
CID 142425096
2-[4-[1-[2-[4-(4-naphthalen-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 145327198
9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837228

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine?
The IUPAC name of 1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine (CID 142593018) is 1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine.
What is the SMILES notation for 1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine?
The canonical SMILES for 1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine is Cc1ccc2c(c1)c1ccccc1c1ccc(-c3ccc(-c4c(-c5ccc(C6=NC(c7ccccc7)=NC(c7ccc(-c8ccccc8)cc7)N6C)cc5)ccc5ccccc45)cc3)cc12.
What is the InChIKey of 1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine?
The InChIKey is NXHPVXHJXGVAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N3/c1-41-21-36-57-58(39-41)55-20-12-11-19-54(55)56-38-35-51(40-59(56)57)44-22-28-47(29-23-44)60-52-18-10-9-15-45(52)34-37-53(60)46-26-32-50(33-27-46)63-65-61(48-16-7-4-8-17-48)64-62(66(63)2)49-30-24-43(25-31-49)42-13-5-3-6-14-42/h3-40,62H,1-2H3.
What are the key properties of 1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine?
1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine has a molecular weight of 844.07 g/mol, XLogP of 16.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine is sourced from PubChem (CID 142593018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).