2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine

C47H37N3 — CID 168844841

IUPAC2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)nc(-c5ccc(C6CCCCC6)cc5)n4)cc3)ccc2c1
InChIInChI=1S/C47H37N3/c1-2-8-32(9-3-1)35-14-22-38(23-15-35)45-48-46(39-24-16-36(17-25-39)43-28-20-33-10-4-6-12-41(33)30-43)50-47(49-45)40-26-18-37(19-27-40)44-29-21-34-11-5-7-13-42(34)31-44/h4-7,10-32H,1-3,8-9H2
InChIKeyBCXIMXVZFBYPJY-UHFFFAOYSA-N
MW643.83 g/mol
LogP12.56
Rot. Bonds6

About 2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine

2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine (PubChem CID 168844841) has the molecular formula C47H37N3 and a molecular weight of 643.83 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
PubChem CID168844841
Molecular FormulaC47H37N3
Molecular Weight643.83 g/mol
Exact Mass643.30
IUPAC Name2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)nc(-c5ccc(C6CCCCC6)cc5)n4)cc3)ccc2c1
InChIInChI=1S/C47H37N3/c1-2-8-32(9-3-1)35-14-22-38(23-15-35)45-48-46(39-24-16-36(17-25-39)43-28-20-33-10-4-6-12-41(33)30-43)50-47(49-45)40-26-18-37(19-27-40)44-29-21-34-11-5-7-13-42(34)31-44/h4-7,10-32H,1-3,8-9H2
InChIKeyBCXIMXVZFBYPJY-UHFFFAOYSA-N
XLogP12.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.83
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 135164016
2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 168843560
N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 135164032
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244255
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 171439517
2-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 18787948
2,4-diphenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166737815
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine (CID 168844841) is 2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine is c1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)nc(-c5ccc(C6CCCCC6)cc5)n4)cc3)ccc2c1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The InChIKey is BCXIMXVZFBYPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37N3/c1-2-8-32(9-3-1)35-14-22-38(23-15-35)45-48-46(39-24-16-36(17-25-39)43-28-20-33-10-4-6-12-41(33)30-43)50-47(49-45)40-26-18-37(19-27-40)44-29-21-34-11-5-7-13-42(34)31-44/h4-7,10-32H,1-3,8-9H2.
What are the key properties of 2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine has a molecular weight of 643.83 g/mol, XLogP of 12.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 168844841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).