(2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine

C49H33NO2 — CID 118860537

IUPAC(2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine
SMILESC=C1/C=C\C=C/N(c2ccccc2)c2cccc(-c3cccc4c3Oc3ccc(-c5ccccc5)cc3C43c4ccccc4Oc4ccccc43)c21
InChIInChI=1S/C49H33NO2/c1-33-16-12-13-31-50(36-19-6-3-7-20-36)43-26-15-21-37(47(33)43)38-22-14-25-41-48(38)52-46-30-29-35(34-17-4-2-5-18-34)32-42(46)49(41)39-23-8-10-27-44(39)51-45-28-11-9-24-40(45)49/h2-32H,1H2/b16-12-,31-13-
InChIKeyBMKYFHPILNVSAY-IBTMIZMQSA-N
MW667.81 g/mol
LogP12.85
Rot. Bonds3

About (2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine

(2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine (PubChem CID 118860537) has the molecular formula C49H33NO2 and a molecular weight of 667.81 g/mol. Its IUPAC name is (2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine.

Molecular Properties

Compound Name(2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine
PubChem CID118860537
Molecular FormulaC49H33NO2
Molecular Weight667.81 g/mol
Exact Mass667.25
IUPAC Name(2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine
SMILESC=C1/C=C\C=C/N(c2ccccc2)c2cccc(-c3cccc4c3Oc3ccc(-c5ccccc5)cc3C43c4ccccc4Oc4ccccc43)c21
InChIInChI=1S/C49H33NO2/c1-33-16-12-13-31-50(36-19-6-3-7-20-36)43-26-15-21-37(47(33)43)38-22-14-25-41-48(38)52-46-30-29-35(34-17-4-2-5-18-34)32-42(46)49(41)39-23-8-10-27-44(39)51-45-28-11-9-24-40(45)49/h2-32H,1H2/b16-12-,31-13-
InChIKeyBMKYFHPILNVSAY-IBTMIZMQSA-N
XLogP12.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]
CID 161440749
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
CID 160749645
1',3-diphenyl-9,9'-spirobi[xanthene];1,4'-diphenyl-9,9'-spirobi[xanthene];2',3-diphenyl-9,9'-spirobi[xanthene];3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 157393766
4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388368
2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]
CID 155235359
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 59096369
9-phenyl-1-(1-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole;9-phenyl-1-(2'-phenyl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-1-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole;9-phenyl-1-(4'-phenyl-9,9'-spirobi[xanthene]-3-yl)carbazole
CID 160615225
2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378933
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine?
The IUPAC name of (2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine (CID 118860537) is (2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine.
What is the SMILES notation for (2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine?
The canonical SMILES for (2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine is C=C1/C=C\C=C/N(c2ccccc2)c2cccc(-c3cccc4c3Oc3ccc(-c5ccccc5)cc3C43c4ccccc4Oc4ccccc43)c21.
What is the InChIKey of (2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine?
The InChIKey is BMKYFHPILNVSAY-IBTMIZMQSA-N. The full InChI is InChI=1S/C49H33NO2/c1-33-16-12-13-31-50(36-19-6-3-7-20-36)43-26-15-21-37(47(33)43)38-22-14-25-41-48(38)52-46-30-29-35(34-17-4-2-5-18-34)32-42(46)49(41)39-23-8-10-27-44(39)51-45-28-11-9-24-40(45)49/h2-32H,1H2/b16-12-,31-13-.
What are the key properties of (2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine?
(2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine has a molecular weight of 667.81 g/mol, XLogP of 12.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-methylidene-1-phenyl-7-(7'-phenyl-9,9'-spirobi[xanthene]-4'-yl)-1-benzazocine is sourced from PubChem (CID 118860537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).