N-[4-[6-(7,8-dihydronaphthalen-2-yl)-1-methyl-4-phenyl-1,3,5-triazinan-2-yl]phenyl]-1-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]naphthalen-2-amine;ethane

C49H50N4 — CID 145137844

IUPACN-[4-[6-(7,8-dihydronaphthalen-2-yl)-1-methyl-4-phenyl-1,3,5-triazinan-2-yl]phenyl]-1-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]naphthalen-2-amine;ethane
SMILESC=C(c1ccccc1/C=C\C)c1c(Nc2ccc(C3NC(c4ccccc4)NC(c4ccc5c(c4)CCC=C5)N3C)cc2)ccc2ccccc12.CC
InChIInChI=1S/C47H44N4.C2H6/c1-4-14-34-16-10-12-21-41(34)32(2)44-42-22-13-11-17-35(42)27-30-43(44)48-40-28-25-37(26-29-40)46-49-45(36-18-6-5-7-19-36)50-47(51(46)3)39-24-23-33-15-8-9-20-38(33)31-39;1-2/h4-8,10-19,21-31,45-50H,2,9,20H2,1,3H3;1-2H3/b14-4-;
InChIKeyJNJYRILZNKXCAK-CYBPKNTASA-N
MW694.97 g/mol
LogP12.18
Rot. Bonds8

About N-[4-[6-(7,8-dihydronaphthalen-2-yl)-1-methyl-4-phenyl-1,3,5-triazinan-2-yl]phenyl]-1-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]naphthalen-2-amine;ethane

N-[4-[6-(7,8-dihydronaphthalen-2-yl)-1-methyl-4-phenyl-1,3,5-triazinan-2-yl]phenyl]-1-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]naphthalen-2-amine;ethane (PubChem CID 145137844) has the molecular formula C49H50N4 and a molecular weight of 694.97 g/mol. Its IUPAC name is N-[4-[6-(7,8-dihydronaphthalen-2-yl)-1-methyl-4-phenyl-1,3,5-triazinan-2-yl]phenyl]-1-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]naphthalen-2-amine;ethane.

Molecular Properties

Compound NameN-[4-[6-(7,8-dihydronaphthalen-2-yl)-1-methyl-4-phenyl-1,3,5-triazinan-2-yl]phenyl]-1-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]naphthalen-2-amine;ethane
PubChem CID145137844
Molecular FormulaC49H50N4
Molecular Weight694.97 g/mol
Exact Mass694.40
IUPAC NameN-[4-[6-(7,8-dihydronaphthalen-2-yl)-1-methyl-4-phenyl-1,3,5-triazinan-2-yl]phenyl]-1-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]naphthalen-2-amine;ethane
SMILESC=C(c1ccccc1/C=C\C)c1c(Nc2ccc(C3NC(c4ccccc4)NC(c4ccc5c(c4)CCC=C5)N3C)cc2)ccc2ccccc12.CC
InChIInChI=1S/C47H44N4.C2H6/c1-4-14-34-16-10-12-21-41(34)32(2)44-42-22-13-11-17-35(42)27-30-43(44)48-40-28-25-37(26-29-40)46-49-45(36-18-6-5-7-19-36)50-47(51(46)3)39-24-23-33-15-8-9-20-38(33)31-39;1-2/h4-8,10-19,21-31,45-50H,2,9,20H2,1,3H3;1-2H3/b14-4-;
InChIKeyJNJYRILZNKXCAK-CYBPKNTASA-N
XLogP12.18
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.97
LogP ≤ 512.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,3-diphenylaziridin-2-yl)phenyl]-4-phenyl-1-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]-7,8-dihydronaphthalen-2-amine
CID 145212227
N-(7,8-dihydronaphthalen-2-yl)naphthalen-2-amine
CID 172758843
9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine
CID 149003548
aniline;ethane;methanethiol;(2E,4Z,6Z)-N-[2-[(3E,5Z)-4-[(2Z)-6-methylidene-1-(4-naphthalen-1-ylphenyl)-4,5-dihydro-1-benzazocin-8-yl]hepta-1,3,5-trien-2-yl]phenyl]-1,8-dihydro-1-benzazecin-10-amine
CID 145361961
ethane;N-phenyl-8,9-dihydrodibenzofuran-4-amine
CID 145105452
1,2-dihydrotetracene
CID 526645
7-methyl-1,2-dihydronaphthalene
CID 123252357
N-[4-[4-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]-1-methylnaphthalen-2-amine;ethane;(3Z,5Z)-4-propan-2-ylhepta-1,3,5-triene
CID 144640383
5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 146498073
2-[(2E,4Z)-5-amino-5-(4,6-dinaphthalen-2-yl-1,3,5-triazinan-2-yl)penta-2,4-dien-2-yl]-6-[(Z)-prop-1-enyl]aniline
CID 144660218
6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene
CID 144871928
ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 145442322

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(7,8-dihydronaphthalen-2-yl)-1-methyl-4-phenyl-1,3,5-triazinan-2-yl]phenyl]-1-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]naphthalen-2-amine;ethane?
The IUPAC name of N-[4-[6-(7,8-dihydronaphthalen-2-yl)-1-methyl-4-phenyl-1,3,5-triazinan-2-yl]phenyl]-1-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]naphthalen-2-amine;ethane (CID 145137844) is N-[4-[6-(7,8-dihydronaphthalen-2-yl)-1-methyl-4-phenyl-1,3,5-triazinan-2-yl]phenyl]-1-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]naphthalen-2-amine;ethane.
What is the SMILES notation for N-[4-[6-(7,8-dihydronaphthalen-2-yl)-1-methyl-4-phenyl-1,3,5-triazinan-2-yl]phenyl]-1-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]naphthalen-2-amine;ethane?
The canonical SMILES for N-[4-[6-(7,8-dihydronaphthalen-2-yl)-1-methyl-4-phenyl-1,3,5-triazinan-2-yl]phenyl]-1-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]naphthalen-2-amine;ethane is C=C(c1ccccc1/C=C\C)c1c(Nc2ccc(C3NC(c4ccccc4)NC(c4ccc5c(c4)CCC=C5)N3C)cc2)ccc2ccccc12.CC.
What is the InChIKey of N-[4-[6-(7,8-dihydronaphthalen-2-yl)-1-methyl-4-phenyl-1,3,5-triazinan-2-yl]phenyl]-1-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]naphthalen-2-amine;ethane?
The InChIKey is JNJYRILZNKXCAK-CYBPKNTASA-N. The full InChI is InChI=1S/C47H44N4.C2H6/c1-4-14-34-16-10-12-21-41(34)32(2)44-42-22-13-11-17-35(42)27-30-43(44)48-40-28-25-37(26-29-40)46-49-45(36-18-6-5-7-19-36)50-47(51(46)3)39-24-23-33-15-8-9-20-38(33)31-39;1-2/h4-8,10-19,21-31,45-50H,2,9,20H2,1,3H3;1-2H3/b14-4-;.
What are the key properties of N-[4-[6-(7,8-dihydronaphthalen-2-yl)-1-methyl-4-phenyl-1,3,5-triazinan-2-yl]phenyl]-1-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]naphthalen-2-amine;ethane?
N-[4-[6-(7,8-dihydronaphthalen-2-yl)-1-methyl-4-phenyl-1,3,5-triazinan-2-yl]phenyl]-1-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]naphthalen-2-amine;ethane has a molecular weight of 694.97 g/mol, XLogP of 12.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(7,8-dihydronaphthalen-2-yl)-1-methyl-4-phenyl-1,3,5-triazinan-2-yl]phenyl]-1-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]naphthalen-2-amine;ethane is sourced from PubChem (CID 145137844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).