N-[4-(9H-benzo[7]annulen-3-ylmethylideneamino)-3-methylphenyl]-1-naphthalen-2-ylmethanimine

C30H24N2 — CID 145060082

IUPACN-[4-(9H-benzo[7]annulen-3-ylmethylideneamino)-3-methylphenyl]-1-naphthalen-2-ylmethanimine
SMILESCc1cc(/N=C/c2ccc3ccccc3c2)ccc1/N=C/c1ccc2c(c1)C=CC=CC2
InChIInChI=1S/C30H24N2/c1-22-17-29(31-20-23-11-13-26-8-5-6-10-28(26)18-23)15-16-30(22)32-21-24-12-14-25-7-3-2-4-9-27(25)19-24/h2-6,8-21H,7H2,1H3/b31-20+,32-21+
InChIKeyBNCROOBXTWTPHP-XIBHFCPISA-N
MW412.54 g/mol
LogP7.77
Rot. Bonds4

About N-[4-(9H-benzo[7]annulen-3-ylmethylideneamino)-3-methylphenyl]-1-naphthalen-2-ylmethanimine

N-[4-(9H-benzo[7]annulen-3-ylmethylideneamino)-3-methylphenyl]-1-naphthalen-2-ylmethanimine (PubChem CID 145060082) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[4-(9H-benzo[7]annulen-3-ylmethylideneamino)-3-methylphenyl]-1-naphthalen-2-ylmethanimine.

Molecular Properties

Compound NameN-[4-(9H-benzo[7]annulen-3-ylmethylideneamino)-3-methylphenyl]-1-naphthalen-2-ylmethanimine
PubChem CID145060082
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC NameN-[4-(9H-benzo[7]annulen-3-ylmethylideneamino)-3-methylphenyl]-1-naphthalen-2-ylmethanimine
SMILESCc1cc(/N=C/c2ccc3ccccc3c2)ccc1/N=C/c1ccc2c(c1)C=CC=CC2
InChIInChI=1S/C30H24N2/c1-22-17-29(31-20-23-11-13-26-8-5-6-10-28(26)18-23)15-16-30(22)32-21-24-12-14-25-7-3-2-4-9-27(25)19-24/h2-6,8-21H,7H2,1H3/b31-20+,32-21+
InChIKeyBNCROOBXTWTPHP-XIBHFCPISA-N
XLogP7.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline
CID 102053185
4-(naphthalen-2-ylmethylideneamino)benzoic acid
CID 71359398
N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
CID 826826
4-(naphthalen-2-ylmethylideneamino)benzamide
CID 791141
[3-(naphthalen-2-ylmethylideneamino)phenyl]methanol
CID 786243
N-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine
CID 23967284
N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine
CID 50855490
1-naphthalen-2-yl-N-prop-1-enylmethanimine
CID 71411928
2,6-dimethoxy-4-(naphthalen-2-yliminomethyl)phenol
CID 1284379
(E)-1-(1H-inden-5-yl)-N-[(E)-1H-indol-5-ylmethylideneamino]methanimine
CID 118543204
1-(3-ethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126208870
(E)-N-ethoxy-1-naphthalen-2-ylmethanimine
CID 89064505

Frequently Asked Questions

What is the IUPAC name of N-[4-(9H-benzo[7]annulen-3-ylmethylideneamino)-3-methylphenyl]-1-naphthalen-2-ylmethanimine?
The IUPAC name of N-[4-(9H-benzo[7]annulen-3-ylmethylideneamino)-3-methylphenyl]-1-naphthalen-2-ylmethanimine (CID 145060082) is N-[4-(9H-benzo[7]annulen-3-ylmethylideneamino)-3-methylphenyl]-1-naphthalen-2-ylmethanimine.
What is the SMILES notation for N-[4-(9H-benzo[7]annulen-3-ylmethylideneamino)-3-methylphenyl]-1-naphthalen-2-ylmethanimine?
The canonical SMILES for N-[4-(9H-benzo[7]annulen-3-ylmethylideneamino)-3-methylphenyl]-1-naphthalen-2-ylmethanimine is Cc1cc(/N=C/c2ccc3ccccc3c2)ccc1/N=C/c1ccc2c(c1)C=CC=CC2.
What is the InChIKey of N-[4-(9H-benzo[7]annulen-3-ylmethylideneamino)-3-methylphenyl]-1-naphthalen-2-ylmethanimine?
The InChIKey is BNCROOBXTWTPHP-XIBHFCPISA-N. The full InChI is InChI=1S/C30H24N2/c1-22-17-29(31-20-23-11-13-26-8-5-6-10-28(26)18-23)15-16-30(22)32-21-24-12-14-25-7-3-2-4-9-27(25)19-24/h2-6,8-21H,7H2,1H3/b31-20+,32-21+.
What are the key properties of N-[4-(9H-benzo[7]annulen-3-ylmethylideneamino)-3-methylphenyl]-1-naphthalen-2-ylmethanimine?
N-[4-(9H-benzo[7]annulen-3-ylmethylideneamino)-3-methylphenyl]-1-naphthalen-2-ylmethanimine has a molecular weight of 412.54 g/mol, XLogP of 7.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9H-benzo[7]annulen-3-ylmethylideneamino)-3-methylphenyl]-1-naphthalen-2-ylmethanimine is sourced from PubChem (CID 145060082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).