N,1-diphenylmethanimine;3-[8-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]dibenzofuran-2-yl]aniline

C44H35N3O — CID 144559824

IUPACN,1-diphenylmethanimine;3-[8-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]dibenzofuran-2-yl]aniline
SMILESC(=N/c1ccccc1)\c1ccccc1.C=C1/C=C\C=C/CN(c2ccc3oc4ccc(-c5cccc(N)c5)cc4c3c2)c2ccccc21
InChIInChI=1S/C31H24N2O.C13H11N/c1-21-8-3-2-6-17-33(29-12-5-4-11-26(21)29)25-14-16-31-28(20-25)27-19-23(13-15-30(27)34-31)22-9-7-10-24(32)18-22;1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h2-16,18-20H,1,17,32H2;1-11H/b6-2-,8-3-;14-11+
InChIKeyBKRBYFFIBPGBOX-FGAMUODFSA-N
MW621.78 g/mol
LogP11.55
Rot. Bonds4

About N,1-diphenylmethanimine;3-[8-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]dibenzofuran-2-yl]aniline

N,1-diphenylmethanimine;3-[8-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]dibenzofuran-2-yl]aniline (PubChem CID 144559824) has the molecular formula C44H35N3O and a molecular weight of 621.78 g/mol. Its IUPAC name is N,1-diphenylmethanimine;3-[8-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]dibenzofuran-2-yl]aniline.

Molecular Properties

Compound NameN,1-diphenylmethanimine;3-[8-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]dibenzofuran-2-yl]aniline
PubChem CID144559824
Molecular FormulaC44H35N3O
Molecular Weight621.78 g/mol
Exact Mass621.28
IUPAC NameN,1-diphenylmethanimine;3-[8-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]dibenzofuran-2-yl]aniline
SMILESC(=N/c1ccccc1)\c1ccccc1.C=C1/C=C\C=C/CN(c2ccc3oc4ccc(-c5cccc(N)c5)cc4c3c2)c2ccccc21
InChIInChI=1S/C31H24N2O.C13H11N/c1-21-8-3-2-6-17-33(29-12-5-4-11-26(21)29)25-14-16-31-28(20-25)27-19-23(13-15-30(27)34-31)22-9-7-10-24(32)18-22;1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h2-16,18-20H,1,17,32H2;1-11H/b6-2-,8-3-;14-11+
InChIKeyBKRBYFFIBPGBOX-FGAMUODFSA-N
XLogP11.55
TPSA54.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.78
LogP ≤ 511.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine
CID 89493771
9-[3-[4-[3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 122666790
5,6-bis(ethenyl)-4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]-21-oxa-3-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 145272856
3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 121419598
3-carbazol-9-yl-10-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-15-(3-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137680
9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
CID 166750088
(2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran
CID 144827351
3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine
CID 145103649
9-[3-methyl-4-[2-methyl-4-[(3Z,5Z)-7-methylidene-9-pyridin-4-yl-2H-1-benzazonin-1-yl]phenyl]phenyl]-3-pyridin-4-ylcarbazole
CID 122518938
benzene;9-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;ethene
CID 144788060
N-(2-dibenzofuran-1-ylphenyl)-2-[4-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]aniline
CID 118534354
1-[4-(3-aminophenyl)phenyl]-2H-pyridin-6-ol
CID 90104843

Frequently Asked Questions

What is the IUPAC name of N,1-diphenylmethanimine;3-[8-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]dibenzofuran-2-yl]aniline?
The IUPAC name of N,1-diphenylmethanimine;3-[8-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]dibenzofuran-2-yl]aniline (CID 144559824) is N,1-diphenylmethanimine;3-[8-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]dibenzofuran-2-yl]aniline.
What is the SMILES notation for N,1-diphenylmethanimine;3-[8-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]dibenzofuran-2-yl]aniline?
The canonical SMILES for N,1-diphenylmethanimine;3-[8-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]dibenzofuran-2-yl]aniline is C(=N/c1ccccc1)\c1ccccc1.C=C1/C=C\C=C/CN(c2ccc3oc4ccc(-c5cccc(N)c5)cc4c3c2)c2ccccc21.
What is the InChIKey of N,1-diphenylmethanimine;3-[8-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]dibenzofuran-2-yl]aniline?
The InChIKey is BKRBYFFIBPGBOX-FGAMUODFSA-N. The full InChI is InChI=1S/C31H24N2O.C13H11N/c1-21-8-3-2-6-17-33(29-12-5-4-11-26(21)29)25-14-16-31-28(20-25)27-19-23(13-15-30(27)34-31)22-9-7-10-24(32)18-22;1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h2-16,18-20H,1,17,32H2;1-11H/b6-2-,8-3-;14-11+.
What are the key properties of N,1-diphenylmethanimine;3-[8-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]dibenzofuran-2-yl]aniline?
N,1-diphenylmethanimine;3-[8-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]dibenzofuran-2-yl]aniline has a molecular weight of 621.78 g/mol, XLogP of 11.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diphenylmethanimine;3-[8-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]dibenzofuran-2-yl]aniline is sourced from PubChem (CID 144559824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).