N-[(4-methyl-6-naphthalen-1-yl-3,4-dihydropyridin-2-yl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline

C37H28F6N2 — CID 142140372

IUPACN-[(4-methyl-6-naphthalen-1-yl-3,4-dihydropyridin-2-yl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline
SMILESCC1C=C(c2cccc3ccccc23)N=C(C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C37H28F6N2/c1-23-18-33(31-17-9-13-25-12-5-6-14-29(25)31)45-34(19-23)35(32-16-8-7-15-30(32)24-10-3-2-4-11-24)44-28-21-26(36(38,39)40)20-27(22-28)37(41,42)43/h2-18,20-23,35,44H,19H2,1H3
InChIKeyDPWPRAZYASKCGB-UHFFFAOYSA-N
MW614.63 g/mol
LogP11.22
Rot. Bonds6

About N-[(4-methyl-6-naphthalen-1-yl-3,4-dihydropyridin-2-yl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline

N-[(4-methyl-6-naphthalen-1-yl-3,4-dihydropyridin-2-yl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline (PubChem CID 142140372) has the molecular formula C37H28F6N2 and a molecular weight of 614.63 g/mol. Its IUPAC name is N-[(4-methyl-6-naphthalen-1-yl-3,4-dihydropyridin-2-yl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(4-methyl-6-naphthalen-1-yl-3,4-dihydropyridin-2-yl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline
PubChem CID142140372
Molecular FormulaC37H28F6N2
Molecular Weight614.63 g/mol
Exact Mass614.22
IUPAC NameN-[(4-methyl-6-naphthalen-1-yl-3,4-dihydropyridin-2-yl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline
SMILESCC1C=C(c2cccc3ccccc23)N=C(C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C37H28F6N2/c1-23-18-33(31-17-9-13-25-12-5-6-14-29(25)31)45-34(19-23)35(32-16-8-7-15-30(32)24-10-3-2-4-11-24)44-28-21-26(36(38,39)40)20-27(22-28)37(41,42)43/h2-18,20-23,35,44H,19H2,1H3
InChIKeyDPWPRAZYASKCGB-UHFFFAOYSA-N
XLogP11.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.63
LogP ≤ 511.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-4-propan-2-ylaniline;N-[anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline;N-[(2-phenylphenyl)-(6-phenyl-2-pyridinyl)methyl]-3,5-bis(trifluoromethyl)aniline;2,4,6-trimethyl-N-[1-(6-naphthalen-1-yl-2-pyridinyl)-2-phenylethyl]aniline
CID 158209735
2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene
CID 169293839
4-methoxy-2-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]naphthalen-1-amine;N-[(6-naphthalen-1-yl-2-pyridinyl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline;2,4,6-trimethyl-N-[2-phenyl-1-(6-phenyl-2-pyridinyl)ethyl]aniline
CID 159882880
2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
2-(3-methyl-3,4-dihydronaphthalen-1-yl)-4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 167188064
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenanthren-2-yl)-1,3,5-triazine
CID 164961687
2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine
CID 134201964
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2-[4-(12-naphthalen-1-ylchrysen-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155655370
N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
CID 22134300
fluoroform;1-(2-phenylphenyl)naphthalene;sulfane
CID 162622934

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-6-naphthalen-1-yl-3,4-dihydropyridin-2-yl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline?
The IUPAC name of N-[(4-methyl-6-naphthalen-1-yl-3,4-dihydropyridin-2-yl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline (CID 142140372) is N-[(4-methyl-6-naphthalen-1-yl-3,4-dihydropyridin-2-yl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for N-[(4-methyl-6-naphthalen-1-yl-3,4-dihydropyridin-2-yl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline?
The canonical SMILES for N-[(4-methyl-6-naphthalen-1-yl-3,4-dihydropyridin-2-yl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline is CC1C=C(c2cccc3ccccc23)N=C(C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2-c2ccccc2)C1.
What is the InChIKey of N-[(4-methyl-6-naphthalen-1-yl-3,4-dihydropyridin-2-yl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline?
The InChIKey is DPWPRAZYASKCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28F6N2/c1-23-18-33(31-17-9-13-25-12-5-6-14-29(25)31)45-34(19-23)35(32-16-8-7-15-30(32)24-10-3-2-4-11-24)44-28-21-26(36(38,39)40)20-27(22-28)37(41,42)43/h2-18,20-23,35,44H,19H2,1H3.
What are the key properties of N-[(4-methyl-6-naphthalen-1-yl-3,4-dihydropyridin-2-yl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline?
N-[(4-methyl-6-naphthalen-1-yl-3,4-dihydropyridin-2-yl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline has a molecular weight of 614.63 g/mol, XLogP of 11.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-6-naphthalen-1-yl-3,4-dihydropyridin-2-yl)-(2-phenylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 142140372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).