[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine

C39H25NO — CID 145447832

IUPAC[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine
SMILES[H]/N=C(/c1ccccc1)c1cccc(-c2cccc3oc4ccc(-c5cc6ccccc6c6ccccc56)cc4c23)c1
InChIInChI=1S/C39H25NO/c40-39(25-10-2-1-3-11-25)29-14-8-13-26(22-29)31-18-9-19-37-38(31)35-24-28(20-21-36(35)41-37)34-23-27-12-4-5-15-30(27)32-16-6-7-17-33(32)34/h1-24,40H/b40-39-
InChIKeyKDCAKANYWXNBLF-MRNGAQBPSA-N
MW523.64 g/mol
LogP10.64
Rot. Bonds4

About [3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine

[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine (PubChem CID 145447832) has the molecular formula C39H25NO and a molecular weight of 523.64 g/mol. Its IUPAC name is [3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine.

Molecular Properties

Compound Name[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine
PubChem CID145447832
Molecular FormulaC39H25NO
Molecular Weight523.64 g/mol
Exact Mass523.19
IUPAC Name[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine
SMILES[H]/N=C(/c1ccccc1)c1cccc(-c2cccc3oc4ccc(-c5cc6ccccc6c6ccccc56)cc4c23)c1
InChIInChI=1S/C39H25NO/c40-39(25-10-2-1-3-11-25)29-14-8-13-26(22-29)31-18-9-19-37-38(31)35-24-28(20-21-36(35)41-37)34-23-27-12-4-5-15-30(27)32-16-6-7-17-33(32)34/h1-24,40H/b40-39-
InChIKeyKDCAKANYWXNBLF-MRNGAQBPSA-N
XLogP10.64
TPSA36.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 510.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 140946390
2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134198849
dibenzofuran-2-yl-(3-phenylphenyl)methanimine
CID 167230437
2-dibenzothiophen-2-yl-4-[4-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198924
2-dibenzothiophen-1-yl-4-[4-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198930
2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952974
2-dibenzofuran-2-yl-4-(7-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741837
4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 121460845
2,4-diphenyl-6-[4-(9-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 135234038
2-(8-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166742596
dibenzofuran-2-yl(phenyl)methanimine
CID 167230325
1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 158243132

Frequently Asked Questions

What is the IUPAC name of [3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine?
The IUPAC name of [3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine (CID 145447832) is [3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine.
What is the SMILES notation for [3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine?
The canonical SMILES for [3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine is [H]/N=C(/c1ccccc1)c1cccc(-c2cccc3oc4ccc(-c5cc6ccccc6c6ccccc56)cc4c23)c1.
What is the InChIKey of [3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine?
The InChIKey is KDCAKANYWXNBLF-MRNGAQBPSA-N. The full InChI is InChI=1S/C39H25NO/c40-39(25-10-2-1-3-11-25)29-14-8-13-26(22-29)31-18-9-19-37-38(31)35-24-28(20-21-36(35)41-37)34-23-27-12-4-5-15-30(27)32-16-6-7-17-33(32)34/h1-24,40H/b40-39-.
What are the key properties of [3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine?
[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine has a molecular weight of 523.64 g/mol, XLogP of 10.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-phenylmethanimine is sourced from PubChem (CID 145447832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).