(Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine

C42H48N2 — CID 54609936

IUPAC(Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine
SMILESCc1ccc(C2(C)CC/C(=N/N=C3/CCC(C)(c4ccc(C)c(C)c4)c4cc(C)c(C)cc43)c3cc(C)c(C)cc32)cc1C
InChIInChI=1S/C42H48N2/c1-25-11-13-33(19-27(25)3)41(9)17-15-39(35-21-29(5)31(7)23-37(35)41)43-44-40-16-18-42(10,34-14-12-26(2)28(4)20-34)38-24-32(8)30(6)22-36(38)40/h11-14,19-24H,15-18H2,1-10H3/b43-39-,44-40-
InChIKeyMBXNBYCQXFRCLX-XRXZHQAKSA-N
MW580.86 g/mol
LogP10.55
Rot. Bonds3

About (Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine

(Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine (PubChem CID 54609936) has the molecular formula C42H48N2 and a molecular weight of 580.86 g/mol. Its IUPAC name is (Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine.

Molecular Properties

Compound Name(Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine
PubChem CID54609936
Molecular FormulaC42H48N2
Molecular Weight580.86 g/mol
Exact Mass580.38
IUPAC Name(Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine
SMILESCc1ccc(C2(C)CC/C(=N/N=C3/CCC(C)(c4ccc(C)c(C)c4)c4cc(C)c(C)cc43)c3cc(C)c(C)cc32)cc1C
InChIInChI=1S/C42H48N2/c1-25-11-13-33(19-27(25)3)41(9)17-15-39(35-21-29(5)31(7)23-37(35)41)43-44-40-16-18-42(10,34-14-12-26(2)28(4)20-34)38-24-32(8)30(6)22-36(38)40/h11-14,19-24H,15-18H2,1-10H3/b43-39-,44-40-
InChIKeyMBXNBYCQXFRCLX-XRXZHQAKSA-N
XLogP10.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.86
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine?
The IUPAC name of (Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine (CID 54609936) is (Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine.
What is the SMILES notation for (Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine?
The canonical SMILES for (Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine is Cc1ccc(C2(C)CC/C(=N/N=C3/CCC(C)(c4ccc(C)c(C)c4)c4cc(C)c(C)cc43)c3cc(C)c(C)cc32)cc1C.
What is the InChIKey of (Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine?
The InChIKey is MBXNBYCQXFRCLX-XRXZHQAKSA-N. The full InChI is InChI=1S/C42H48N2/c1-25-11-13-33(19-27(25)3)41(9)17-15-39(35-21-29(5)31(7)23-37(35)41)43-44-40-16-18-42(10,34-14-12-26(2)28(4)20-34)38-24-32(8)30(6)22-36(38)40/h11-14,19-24H,15-18H2,1-10H3/b43-39-,44-40-.
What are the key properties of (Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine?
(Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine has a molecular weight of 580.86 g/mol, XLogP of 10.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine is sourced from PubChem (CID 54609936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).