N-(2-dibenzofuran-1-ylphenyl)-2-[4-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]aniline

C48H34N2O — CID 118534354

IUPACN-(2-dibenzofuran-1-ylphenyl)-2-[4-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]aniline
SMILESC=C1/C=C\C(c2ccc(-c3ccccc3Nc3ccccc3-c3cccc4oc5ccccc5c34)cc2)=C/N(c2ccccc2)c2ccccc21
InChIInChI=1S/C48H34N2O/c1-33-26-27-36(32-50(37-14-3-2-4-15-37)45-23-11-7-16-38(33)45)34-28-30-35(31-29-34)39-17-5-9-21-43(39)49-44-22-10-6-18-40(44)41-20-13-25-47-48(41)42-19-8-12-24-46(42)51-47/h2-32,49H,1H2/b27-26-,36-32+
InChIKeyMLWNECIJTWUQIG-BGPYCZOCSA-N
MW654.81 g/mol
LogP13.43
Rot. Bonds6

About N-(2-dibenzofuran-1-ylphenyl)-2-[4-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]aniline

N-(2-dibenzofuran-1-ylphenyl)-2-[4-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]aniline (PubChem CID 118534354) has the molecular formula C48H34N2O and a molecular weight of 654.81 g/mol. Its IUPAC name is N-(2-dibenzofuran-1-ylphenyl)-2-[4-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]aniline.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-ylphenyl)-2-[4-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]aniline
PubChem CID118534354
Molecular FormulaC48H34N2O
Molecular Weight654.81 g/mol
Exact Mass654.27
IUPAC NameN-(2-dibenzofuran-1-ylphenyl)-2-[4-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]aniline
SMILESC=C1/C=C\C(c2ccc(-c3ccccc3Nc3ccccc3-c3cccc4oc5ccccc5c34)cc2)=C/N(c2ccccc2)c2ccccc21
InChIInChI=1S/C48H34N2O/c1-33-26-27-36(32-50(37-14-3-2-4-15-37)45-23-11-7-16-38(33)45)34-28-30-35(31-29-34)39-17-5-9-21-43(39)49-44-22-10-6-18-40(44)41-20-13-25-47-48(41)42-19-8-12-24-46(42)51-47/h2-32,49H,1H2/b27-26-,36-32+
InChIKeyMLWNECIJTWUQIG-BGPYCZOCSA-N
XLogP13.43
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 513.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2E,4Z)-3-(11,12-dihydrotriphenylen-2-yl)-6-methylidene-1-phenyl-1-benzazocine
CID 118228628
N-(2,4-diphenylphenyl)dibenzofuran-1-amine
CID 176844480
N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298496
2-[[[3-[(2Z,4E)-4-(4-anilino-3-phenylphenyl)-6-methylidene-1-benzazocin-1-yl]phenyl]methylideneamino]-phenylmethyl]-1-benzofuran-3-amine
CID 129022103
8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 176760060
6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine
CID 140842833
2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline
CID 118534074
4-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166510148
N-(3-dibenzofuran-2-ylphenyl)-2-phenylaniline
CID 121360316
N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 175441653
4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 154970869
(2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran
CID 144827351

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-2-[4-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]aniline?
The IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-2-[4-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]aniline (CID 118534354) is N-(2-dibenzofuran-1-ylphenyl)-2-[4-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]aniline.
What is the SMILES notation for N-(2-dibenzofuran-1-ylphenyl)-2-[4-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]aniline?
The canonical SMILES for N-(2-dibenzofuran-1-ylphenyl)-2-[4-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]aniline is C=C1/C=C\C(c2ccc(-c3ccccc3Nc3ccccc3-c3cccc4oc5ccccc5c34)cc2)=C/N(c2ccccc2)c2ccccc21.
What is the InChIKey of N-(2-dibenzofuran-1-ylphenyl)-2-[4-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]aniline?
The InChIKey is MLWNECIJTWUQIG-BGPYCZOCSA-N. The full InChI is InChI=1S/C48H34N2O/c1-33-26-27-36(32-50(37-14-3-2-4-15-37)45-23-11-7-16-38(33)45)34-28-30-35(31-29-34)39-17-5-9-21-43(39)49-44-22-10-6-18-40(44)41-20-13-25-47-48(41)42-19-8-12-24-46(42)51-47/h2-32,49H,1H2/b27-26-,36-32+.
What are the key properties of N-(2-dibenzofuran-1-ylphenyl)-2-[4-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]aniline?
N-(2-dibenzofuran-1-ylphenyl)-2-[4-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]aniline has a molecular weight of 654.81 g/mol, XLogP of 13.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-1-ylphenyl)-2-[4-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]aniline is sourced from PubChem (CID 118534354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).