[9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine

C47H37N — CID 142480301

IUPAC[9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine
SMILES[H]/N=C\c1cccc2c1-c1cc(-c3ccc(C4=CC(c5ccccc5)=CCC4)cc3)ccc1C21c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C47H37N/c1-46(2)40-17-6-8-19-42(40)47(43-20-9-7-18-41(43)46)39-27-26-36(29-38(39)45-37(30-48)16-11-21-44(45)47)33-24-22-32(23-25-33)35-15-10-14-34(28-35)31-12-4-3-5-13-31/h3-9,11-14,16-30,48H,10,15H2,1-2H3/b48-30-
InChIKeyKEOVXPRQJUGWHJ-UQFZDNAUSA-N
MW615.82 g/mol
LogP11.61
Rot. Bonds4

About [9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine

[9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine (PubChem CID 142480301) has the molecular formula C47H37N and a molecular weight of 615.82 g/mol. Its IUPAC name is [9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine.

Molecular Properties

Compound Name[9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine
PubChem CID142480301
Molecular FormulaC47H37N
Molecular Weight615.82 g/mol
Exact Mass615.29
IUPAC Name[9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine
SMILES[H]/N=C\c1cccc2c1-c1cc(-c3ccc(C4=CC(c5ccccc5)=CCC4)cc3)ccc1C21c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C47H37N/c1-46(2)40-17-6-8-19-42(40)47(43-20-9-7-18-41(43)46)39-27-26-36(29-38(39)45-37(30-48)16-11-21-44(45)47)33-24-22-32(23-25-33)35-15-10-14-34(28-35)31-12-4-3-5-13-31/h3-9,11-14,16-30,48H,10,15H2,1-2H3/b48-30-
InChIKeyKEOVXPRQJUGWHJ-UQFZDNAUSA-N
XLogP11.61
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.82
LogP ≤ 511.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine 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

1-[9,9-dimethyl-6'-(3-phenylcyclohexa-1,3-dien-1-yl)spiro[anthracene-10,9'-fluorene]-4'-yl]-N-[(Z)-1,3-diphenylprop-1-enyl]methanimine
CID 142480326
[6'-[(3E,5Z)-7-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]hepta-1,3,5-trien-4-yl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]methanimine
CID 142480316
2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 134447548
2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine
CID 155475729
2-[9,9-dimethyl-6'-[3-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyrimidine
CID 142480360
2-[9,9-dimethyl-6'-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 153293196
2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 142480512
4-cyclohexa-1,5-dien-1-yl-N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 146247654
2-cyclohexa-1,3-dien-1-yl-4-(9,9-dimethyl-6'-naphthalen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-phenylpyrimidine
CID 155475702
2-[9,9-dimethyl-6'-[4-[4-(3-phenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine
CID 155475793
(1Z,3E)-3-[9,9-dimethyl-6'-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]-1,5-diphenylpenta-1,3-dien-1-amine
CID 142480492
4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine
CID 153293199

Frequently Asked Questions

What is the IUPAC name of [9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine?
The IUPAC name of [9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine (CID 142480301) is [9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine.
What is the SMILES notation for [9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine?
The canonical SMILES for [9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine is [H]/N=C\c1cccc2c1-c1cc(-c3ccc(C4=CC(c5ccccc5)=CCC4)cc3)ccc1C21c2ccccc2C(C)(C)c2ccccc21.
What is the InChIKey of [9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine?
The InChIKey is KEOVXPRQJUGWHJ-UQFZDNAUSA-N. The full InChI is InChI=1S/C47H37N/c1-46(2)40-17-6-8-19-42(40)47(43-20-9-7-18-41(43)46)39-27-26-36(29-38(39)45-37(30-48)16-11-21-44(45)47)33-24-22-32(23-25-33)35-15-10-14-34(28-35)31-12-4-3-5-13-31/h3-9,11-14,16-30,48H,10,15H2,1-2H3/b48-30-.
What are the key properties of [9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine?
[9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine has a molecular weight of 615.82 g/mol, XLogP of 11.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine is sourced from PubChem (CID 142480301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).