N-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine

C37H29NO2 — CID 86624015

IUPACN-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine
SMILESc1ccc(COc2ccc3cc(N=C(c4ccccc4)c4ccccc4)c(OCc4ccccc4)cc3c2)cc1
InChIInChI=1S/C37H29NO2/c1-5-13-28(14-6-1)26-39-34-22-21-32-24-35(36(25-33(32)23-34)40-27-29-15-7-2-8-16-29)38-37(30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-25H,26-27H2
InChIKeyYHYSFLMZBJCCAK-UHFFFAOYSA-N
MW519.64 g/mol
LogP9.17
Rot. Bonds9

About N-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine

N-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine (PubChem CID 86624015) has the molecular formula C37H29NO2 and a molecular weight of 519.64 g/mol. Its IUPAC name is N-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine
PubChem CID86624015
Molecular FormulaC37H29NO2
Molecular Weight519.64 g/mol
Exact Mass519.22
IUPAC NameN-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine
SMILESc1ccc(COc2ccc3cc(N=C(c4ccccc4)c4ccccc4)c(OCc4ccccc4)cc3c2)cc1
InChIInChI=1S/C37H29NO2/c1-5-13-28(14-6-1)26-39-34-22-21-32-24-35(36(25-33(32)23-34)40-27-29-15-7-2-8-16-29)38-37(30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-25H,26-27H2
InChIKeyYHYSFLMZBJCCAK-UHFFFAOYSA-N
XLogP9.17
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.64
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501104
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
2-bromo-6-phenylmethoxynaphthalene
CID 640595
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
2-tert-butyl-7-phenylmethoxynaphthalene
CID 146249475
6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
CID 158113747
6-phenylmethoxyisoquinolin-3-amine
CID 71742578
2-methyl-6-phenylmethoxyquinoline
CID 82580854
(4-methoxyphenyl)-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)methanol
CID 25132186
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088

Frequently Asked Questions

What is the IUPAC name of N-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine (CID 86624015) is N-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine is c1ccc(COc2ccc3cc(N=C(c4ccccc4)c4ccccc4)c(OCc4ccccc4)cc3c2)cc1.
What is the InChIKey of N-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine?
The InChIKey is YHYSFLMZBJCCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29NO2/c1-5-13-28(14-6-1)26-39-34-22-21-32-24-35(36(25-33(32)23-34)40-27-29-15-7-2-8-16-29)38-37(30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-25H,26-27H2.
What are the key properties of N-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine?
N-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine has a molecular weight of 519.64 g/mol, XLogP of 9.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 86624015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).