acetonitrile;1-[2-(4-methoxy-N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methoxyphenyl)naphthalen-2-amine

C50H43N3O4 — CID 139103306

IUPACacetonitrile;1-[2-(4-methoxy-N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methoxyphenyl)naphthalen-2-amine
SMILESCC#N.COc1ccc(N(c2ccc(OC)cc2)c2ccc3ccccc3c2-c2c(N(c3ccc(OC)cc3)c3ccc(OC)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C48H40N2O4.C2H3N/c1-51-39-23-15-35(16-24-39)49(36-17-25-40(52-2)26-18-36)45-31-13-33-9-5-7-11-43(33)47(45)48-44-12-8-6-10-34(44)14-32-46(48)50(37-19-27-41(53-3)28-20-37)38-21-29-42(54-4)30-22-38;1-2-3/h5-32H,1-4H3;1H3
InChIKeyIXAOZINIBGSSAN-UHFFFAOYSA-N
MW749.91 g/mol
LogP13.16
Rot. Bonds11

About acetonitrile;1-[2-(4-methoxy-N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methoxyphenyl)naphthalen-2-amine

acetonitrile;1-[2-(4-methoxy-N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methoxyphenyl)naphthalen-2-amine (PubChem CID 139103306) has the molecular formula C50H43N3O4 and a molecular weight of 749.91 g/mol. Its IUPAC name is acetonitrile;1-[2-(4-methoxy-N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methoxyphenyl)naphthalen-2-amine.

Molecular Properties

Compound Nameacetonitrile;1-[2-(4-methoxy-N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methoxyphenyl)naphthalen-2-amine
PubChem CID139103306
Molecular FormulaC50H43N3O4
Molecular Weight749.91 g/mol
Exact Mass749.33
IUPAC Nameacetonitrile;1-[2-(4-methoxy-N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methoxyphenyl)naphthalen-2-amine
SMILESCC#N.COc1ccc(N(c2ccc(OC)cc2)c2ccc3ccccc3c2-c2c(N(c3ccc(OC)cc3)c3ccc(OC)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C48H40N2O4.C2H3N/c1-51-39-23-15-35(16-24-39)49(36-17-25-40(52-2)26-18-36)45-31-13-33-9-5-7-11-43(33)47(45)48-44-12-8-6-10-34(44)14-32-46(48)50(37-19-27-41(53-3)28-20-37)38-21-29-42(54-4)30-22-38;1-2-3/h5-32H,1-4H3;1H3
InChIKeyIXAOZINIBGSSAN-UHFFFAOYSA-N
XLogP13.16
TPSA67.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.91
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-1-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine
CID 164774334
1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine
CID 59907395
N,N-bis(3-methylphenyl)-1-naphthalen-2-ylnaphthalen-2-amine;N,N-bis(4-methylphenyl)-1-naphthalen-2-ylnaphthalen-2-amine;N-(4-methoxyphenyl)-N-(4-methylphenyl)-1-naphthalen-2-ylnaphthalen-2-amine;N-(4-methoxyphenyl)-1-naphthalen-2-yl-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-1-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 165046285
N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine
CID 59133381
N-(4-methoxyphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-1-amine
CID 164774253
3-N,3-N,9-N,9-N-tetrakis(4-methoxyphenyl)perylene-3,9-diamine
CID 20710079
N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431945
1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 101381671
4-(N-[3,15-bis(4-methoxyphenyl)-8-decacyclo[18.12.2.15,9.121,25.02,16.04,14.017,33.030,34.013,36.029,35]hexatriaconta-1(32),2,4(14),5(36),6,8,10,12,15,17(33),18,20(34),21,23,25(35),26,28,30-octadecaenyl]-4-cyanoanilino)benzonitrile
CID 170381152
8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile
CID 121401522
2,6-bis[2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile
CID 89372318
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926

Frequently Asked Questions

What is the IUPAC name of acetonitrile;1-[2-(4-methoxy-N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methoxyphenyl)naphthalen-2-amine?
The IUPAC name of acetonitrile;1-[2-(4-methoxy-N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methoxyphenyl)naphthalen-2-amine (CID 139103306) is acetonitrile;1-[2-(4-methoxy-N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methoxyphenyl)naphthalen-2-amine.
What is the SMILES notation for acetonitrile;1-[2-(4-methoxy-N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methoxyphenyl)naphthalen-2-amine?
The canonical SMILES for acetonitrile;1-[2-(4-methoxy-N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methoxyphenyl)naphthalen-2-amine is CC#N.COc1ccc(N(c2ccc(OC)cc2)c2ccc3ccccc3c2-c2c(N(c3ccc(OC)cc3)c3ccc(OC)cc3)ccc3ccccc23)cc1.
What is the InChIKey of acetonitrile;1-[2-(4-methoxy-N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methoxyphenyl)naphthalen-2-amine?
The InChIKey is IXAOZINIBGSSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N2O4.C2H3N/c1-51-39-23-15-35(16-24-39)49(36-17-25-40(52-2)26-18-36)45-31-13-33-9-5-7-11-43(33)47(45)48-44-12-8-6-10-34(44)14-32-46(48)50(37-19-27-41(53-3)28-20-37)38-21-29-42(54-4)30-22-38;1-2-3/h5-32H,1-4H3;1H3.
What are the key properties of acetonitrile;1-[2-(4-methoxy-N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methoxyphenyl)naphthalen-2-amine?
acetonitrile;1-[2-(4-methoxy-N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methoxyphenyl)naphthalen-2-amine has a molecular weight of 749.91 g/mol, XLogP of 13.16, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;1-[2-(4-methoxy-N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methoxyphenyl)naphthalen-2-amine is sourced from PubChem (CID 139103306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).