N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine

C77H59N5 — CID 158790277

IUPACN-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(Nc3cccc4ccccc34)cc2)cc1.c1ccc(Nc2cccc3ccccc23)nc1.c1ccc2c(Nc3cccc4ccccc34)cccc2c1.c1ccc2cc(Nc3cccc4ccccc34)ccc2c1
InChIInChI=1S/C22H17N.2C20H15N.C15H12N2/c1-2-7-17(8-3-1)18-13-15-20(16-14-18)23-22-12-6-10-19-9-4-5-11-21(19)22;1-3-11-17-15(7-1)9-5-13-19(17)21-20-14-6-10-16-8-2-4-12-18(16)20;1-2-8-17-14-18(13-12-15(17)6-1)21-20-11-5-9-16-7-3-4-10-19(16)20;1-2-8-13-12(6-1)7-5-9-14(13)17-15-10-3-4-11-16-15/h1-16,23H;2*1-14,21H;1-11H,(H,16,17)
InChIKeyISEMNYUGBUOUCH-UHFFFAOYSA-N
MW1054.35 g/mol
LogP21.70
Rot. Bonds9

About N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine

N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 158790277) has the molecular formula C77H59N5 and a molecular weight of 1054.35 g/mol. Its IUPAC name is N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID158790277
Molecular FormulaC77H59N5
Molecular Weight1054.35 g/mol
Exact Mass1053.48
IUPAC NameN-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(Nc3cccc4ccccc34)cc2)cc1.c1ccc(Nc2cccc3ccccc23)nc1.c1ccc2c(Nc3cccc4ccccc34)cccc2c1.c1ccc2cc(Nc3cccc4ccccc34)ccc2c1
InChIInChI=1S/C22H17N.2C20H15N.C15H12N2/c1-2-7-17(8-3-1)18-13-15-20(16-14-18)23-22-12-6-10-19-9-4-5-11-21(19)22;1-3-11-17-15(7-1)9-5-13-19(17)21-20-14-6-10-16-8-2-4-12-18(16)20;1-2-8-17-14-18(13-12-15(17)6-1)21-20-11-5-9-16-7-3-4-10-19(16)20;1-2-8-13-12(6-1)7-5-9-14(13)17-15-10-3-4-11-16-15/h1-16,23H;2*1-14,21H;1-11H,(H,16,17)
InChIKeyISEMNYUGBUOUCH-UHFFFAOYSA-N
XLogP21.70
TPSA61.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.35
LogP ≤ 521.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine with MolForge

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Related Compounds

N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
N-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine
CID 171456448
N-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridin-2-amine
CID 58121637
benzylbenzene;1-benzyl-3-phenylbenzene;2-(naphthalen-2-ylmethyl)naphthalene;N-naphthalen-1-ylnaphthalen-1-amine;N-phenylnaphthalen-1-amine;2-[(4-phenylphenyl)methyl]naphthalene;1-phenyl-3-[(3-phenylphenyl)methyl]benzene
CID 161127822
N-naphthalen-1-ylphenanthren-2-amine
CID 139983977
2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline
CID 69101182
N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
CID 22134300
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine
CID 135258876
3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166769727
7-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 166714630

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine (CID 158790277) is N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(Nc3cccc4ccccc34)cc2)cc1.c1ccc(Nc2cccc3ccccc23)nc1.c1ccc2c(Nc3cccc4ccccc34)cccc2c1.c1ccc2cc(Nc3cccc4ccccc34)ccc2c1.
What is the InChIKey of N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is ISEMNYUGBUOUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N.2C20H15N.C15H12N2/c1-2-7-17(8-3-1)18-13-15-20(16-14-18)23-22-12-6-10-19-9-4-5-11-21(19)22;1-3-11-17-15(7-1)9-5-13-19(17)21-20-14-6-10-16-8-2-4-12-18(16)20;1-2-8-17-14-18(13-12-15(17)6-1)21-20-11-5-9-16-7-3-4-10-19(16)20;1-2-8-13-12(6-1)7-5-9-14(13)17-15-10-3-4-11-16-15/h1-16,23H;2*1-14,21H;1-11H,(H,16,17).
What are the key properties of N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine?
N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 1054.35 g/mol, XLogP of 21.70, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine;N-naphthalen-1-ylpyridin-2-amine;N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 158790277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).