N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine

C108H96Cl2N12O2 — CID 173306770

IUPACN-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine
SMILESCCC(=NN=C(c1ccccc1)c1ccccc1)c1ccccc1.COc1ccc2c(c1)CCCC2=NN=C(c1ccccc1)c1ccccc1.COc1ccc2c(c1)CCCC2=NNc1ccnc2cc(Cl)ccc12.Clc1ccc2c(NN=C3CCCc4ccccc43)ccnc2c1.c1ccc(C(=NN=C2CCCc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O.C23H20N2.C22H20N2.C20H18ClN3O.C19H16ClN3/c1-27-21-15-16-22-20(17-21)13-8-14-23(22)25-26-24(18-9-4-2-5-10-18)19-11-6-3-7-12-19;1-3-11-19(12-4-1)23(20-13-5-2-6-14-20)25-24-22-17-9-15-18-10-7-8-16-21(18)22;1-2-21(18-12-6-3-7-13-18)23-24-22(19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-25-15-6-8-16-13(11-15)3-2-4-18(16)23-24-19-9-10-22-20-12-14(21)5-7-17(19)20;20-14-8-9-16-18(10-11-21-19(16)12-14)23-22-17-7-3-5-13-4-1-2-6-15(13)17/h2-7,9-12,15-17H,8,13-14H2,1H3;1-8,10-14,16H,9,15,17H2;3-17H,2H2,1H3;5-12H,2-4H2,1H3,(H,22,24);1-2,4,6,8-12H,3,5,7H2,(H,21,23)
InChIKeyBOOPLBMTUGXWHU-UHFFFAOYSA-N
MW1664.94 g/mol
LogP25.97
Rot. Bonds17

About N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine

N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine (PubChem CID 173306770) has the molecular formula C108H96Cl2N12O2 and a molecular weight of 1664.94 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine
PubChem CID173306770
Molecular FormulaC108H96Cl2N12O2
Molecular Weight1664.94 g/mol
Exact Mass1662.72
IUPAC NameN-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine
SMILESCCC(=NN=C(c1ccccc1)c1ccccc1)c1ccccc1.COc1ccc2c(c1)CCCC2=NN=C(c1ccccc1)c1ccccc1.COc1ccc2c(c1)CCCC2=NNc1ccnc2cc(Cl)ccc12.Clc1ccc2c(NN=C3CCCc4ccccc43)ccnc2c1.c1ccc(C(=NN=C2CCCc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O.C23H20N2.C22H20N2.C20H18ClN3O.C19H16ClN3/c1-27-21-15-16-22-20(17-21)13-8-14-23(22)25-26-24(18-9-4-2-5-10-18)19-11-6-3-7-12-19;1-3-11-19(12-4-1)23(20-13-5-2-6-14-20)25-24-22-17-9-15-18-10-7-8-16-21(18)22;1-2-21(18-12-6-3-7-13-18)23-24-22(19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-25-15-6-8-16-13(11-15)3-2-4-18(16)23-24-19-9-10-22-20-12-14(21)5-7-17(19)20;20-14-8-9-16-18(10-11-21-19(16)12-14)23-22-17-7-3-5-13-4-1-2-6-15(13)17/h2-7,9-12,15-17H,8,13-14H2,1H3;1-8,10-14,16H,9,15,17H2;3-17H,2H2,1H3;5-12H,2-4H2,1H3,(H,22,24);1-2,4,6,8-12H,3,5,7H2,(H,21,23)
InChIKeyBOOPLBMTUGXWHU-UHFFFAOYSA-N
XLogP25.97
TPSA167.18 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001664.94
LogP ≤ 525.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine?
The IUPAC name of N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine (CID 173306770) is N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine.
What is the SMILES notation for N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine?
The canonical SMILES for N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine is CCC(=NN=C(c1ccccc1)c1ccccc1)c1ccccc1.COc1ccc2c(c1)CCCC2=NN=C(c1ccccc1)c1ccccc1.COc1ccc2c(c1)CCCC2=NNc1ccnc2cc(Cl)ccc12.Clc1ccc2c(NN=C3CCCc4ccccc43)ccnc2c1.c1ccc(C(=NN=C2CCCc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine?
The InChIKey is BOOPLBMTUGXWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O.C23H20N2.C22H20N2.C20H18ClN3O.C19H16ClN3/c1-27-21-15-16-22-20(17-21)13-8-14-23(22)25-26-24(18-9-4-2-5-10-18)19-11-6-3-7-12-19;1-3-11-19(12-4-1)23(20-13-5-2-6-14-20)25-24-22-17-9-15-18-10-7-8-16-21(18)22;1-2-21(18-12-6-3-7-13-18)23-24-22(19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-25-15-6-8-16-13(11-15)3-2-4-18(16)23-24-19-9-10-22-20-12-14(21)5-7-17(19)20;20-14-8-9-16-18(10-11-21-19(16)12-14)23-22-17-7-3-5-13-4-1-2-6-15(13)17/h2-7,9-12,15-17H,8,13-14H2,1H3;1-8,10-14,16H,9,15,17H2;3-17H,2H2,1H3;5-12H,2-4H2,1H3,(H,22,24);1-2,4,6,8-12H,3,5,7H2,(H,21,23).
What are the key properties of N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine?
N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine has a molecular weight of 1664.94 g/mol, XLogP of 25.97, 17 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine is sourced from PubChem (CID 173306770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).