2-[(7Z,9Z)-3'-dibenzofuran-3-yl-5'-methanimidoyl-6-methylidenespiro[benzo[8]annulene-5,9'-fluorene]-1-yl]aniline

C44H30N2O — CID 142481787

IUPAC2-[(7Z,9Z)-3'-dibenzofuran-3-yl-5'-methanimidoyl-6-methylidenespiro[benzo[8]annulene-5,9'-fluorene]-1-yl]aniline
SMILES[H]/N=C/c1cccc2c1-c1cc(-c3ccc4c(c3)oc3ccccc34)ccc1C21C(=C)/C=C\C=C/c2c(-c3ccccc3N)cccc21
InChIInChI=1S/C44H30N2O/c1-27-10-2-3-12-32-31(33-13-4-6-18-40(33)46)15-9-16-37(32)44(27)38-23-21-28(24-36(38)43-30(26-45)11-8-17-39(43)44)29-20-22-35-34-14-5-7-19-41(34)47-42(35)25-29/h2-26,45H,1,46H2/b10-2-,12-3-,45-26+
InChIKeyNMQPHTNCGXGVIQ-HNANVJIRSA-N
MW602.74 g/mol
LogP10.95
Rot. Bonds3

About 2-[(7Z,9Z)-3'-dibenzofuran-3-yl-5'-methanimidoyl-6-methylidenespiro[benzo[8]annulene-5,9'-fluorene]-1-yl]aniline

2-[(7Z,9Z)-3'-dibenzofuran-3-yl-5'-methanimidoyl-6-methylidenespiro[benzo[8]annulene-5,9'-fluorene]-1-yl]aniline (PubChem CID 142481787) has the molecular formula C44H30N2O and a molecular weight of 602.74 g/mol. Its IUPAC name is 2-[(7Z,9Z)-3'-dibenzofuran-3-yl-5'-methanimidoyl-6-methylidenespiro[benzo[8]annulene-5,9'-fluorene]-1-yl]aniline.

Molecular Properties

Compound Name2-[(7Z,9Z)-3'-dibenzofuran-3-yl-5'-methanimidoyl-6-methylidenespiro[benzo[8]annulene-5,9'-fluorene]-1-yl]aniline
PubChem CID142481787
Molecular FormulaC44H30N2O
Molecular Weight602.74 g/mol
Exact Mass602.24
IUPAC Name2-[(7Z,9Z)-3'-dibenzofuran-3-yl-5'-methanimidoyl-6-methylidenespiro[benzo[8]annulene-5,9'-fluorene]-1-yl]aniline
SMILES[H]/N=C/c1cccc2c1-c1cc(-c3ccc4c(c3)oc3ccccc34)ccc1C21C(=C)/C=C\C=C/c2c(-c3ccccc3N)cccc21
InChIInChI=1S/C44H30N2O/c1-27-10-2-3-12-32-31(33-13-4-6-18-40(33)46)15-9-16-37(32)44(27)38-23-21-28(24-36(38)43-30(26-45)11-8-17-39(43)44)29-20-22-35-34-14-5-7-19-41(34)47-42(35)25-29/h2-26,45H,1,46H2/b10-2-,12-3-,45-26+
InChIKeyNMQPHTNCGXGVIQ-HNANVJIRSA-N
XLogP10.95
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 510.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(7Z,9Z)-3'-dibenzofuran-3-yl-5'-methanimidoyl-6-methylidenespiro[benzo[8]annulene-5,9'-fluorene]-1-yl]aniline 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

3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146649073
2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine
CID 148861286
3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran
CID 166034341
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308762
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
[9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine
CID 142480301
2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 146648582
2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 122537211
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 129267011
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392

Frequently Asked Questions

What is the IUPAC name of 2-[(7Z,9Z)-3'-dibenzofuran-3-yl-5'-methanimidoyl-6-methylidenespiro[benzo[8]annulene-5,9'-fluorene]-1-yl]aniline?
The IUPAC name of 2-[(7Z,9Z)-3'-dibenzofuran-3-yl-5'-methanimidoyl-6-methylidenespiro[benzo[8]annulene-5,9'-fluorene]-1-yl]aniline (CID 142481787) is 2-[(7Z,9Z)-3'-dibenzofuran-3-yl-5'-methanimidoyl-6-methylidenespiro[benzo[8]annulene-5,9'-fluorene]-1-yl]aniline.
What is the SMILES notation for 2-[(7Z,9Z)-3'-dibenzofuran-3-yl-5'-methanimidoyl-6-methylidenespiro[benzo[8]annulene-5,9'-fluorene]-1-yl]aniline?
The canonical SMILES for 2-[(7Z,9Z)-3'-dibenzofuran-3-yl-5'-methanimidoyl-6-methylidenespiro[benzo[8]annulene-5,9'-fluorene]-1-yl]aniline is [H]/N=C/c1cccc2c1-c1cc(-c3ccc4c(c3)oc3ccccc34)ccc1C21C(=C)/C=C\C=C/c2c(-c3ccccc3N)cccc21.
What is the InChIKey of 2-[(7Z,9Z)-3'-dibenzofuran-3-yl-5'-methanimidoyl-6-methylidenespiro[benzo[8]annulene-5,9'-fluorene]-1-yl]aniline?
The InChIKey is NMQPHTNCGXGVIQ-HNANVJIRSA-N. The full InChI is InChI=1S/C44H30N2O/c1-27-10-2-3-12-32-31(33-13-4-6-18-40(33)46)15-9-16-37(32)44(27)38-23-21-28(24-36(38)43-30(26-45)11-8-17-39(43)44)29-20-22-35-34-14-5-7-19-41(34)47-42(35)25-29/h2-26,45H,1,46H2/b10-2-,12-3-,45-26+.
What are the key properties of 2-[(7Z,9Z)-3'-dibenzofuran-3-yl-5'-methanimidoyl-6-methylidenespiro[benzo[8]annulene-5,9'-fluorene]-1-yl]aniline?
2-[(7Z,9Z)-3'-dibenzofuran-3-yl-5'-methanimidoyl-6-methylidenespiro[benzo[8]annulene-5,9'-fluorene]-1-yl]aniline has a molecular weight of 602.74 g/mol, XLogP of 10.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7Z,9Z)-3'-dibenzofuran-3-yl-5'-methanimidoyl-6-methylidenespiro[benzo[8]annulene-5,9'-fluorene]-1-yl]aniline is sourced from PubChem (CID 142481787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).