N-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]methanimine

C51H38N2 — CID 129263237

IUPACN-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]methanimine
SMILESC1=CC2C(C=C1c1cccc(/C=N/Cc3ccc(-c4ccccc4)cc3)c1)c1ccccc1C21c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C51H38N2/c1-3-15-38(16-4-1)39-28-26-36(27-29-39)34-52-35-37-14-13-17-40(32-37)41-30-31-46-44(33-41)43-20-7-8-21-45(43)51(46)47-22-9-11-24-49(47)53(42-18-5-2-6-19-42)50-25-12-10-23-48(50)51/h1-33,35,44,46H,34H2/b52-35+
InChIKeyRQKQDWQKPNAYLS-RERHWPFLSA-N
MW678.88 g/mol
LogP12.46
Rot. Bonds6

About N-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]methanimine

N-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]methanimine (PubChem CID 129263237) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is N-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]methanimine.

Molecular Properties

Compound NameN-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]methanimine
PubChem CID129263237
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC NameN-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]methanimine
SMILESC1=CC2C(C=C1c1cccc(/C=N/Cc3ccc(-c4ccccc4)cc3)c1)c1ccccc1C21c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C51H38N2/c1-3-15-38(16-4-1)39-28-26-36(27-29-39)34-52-35-37-14-13-17-40(32-37)41-30-31-46-44(33-41)43-20-7-8-21-45(43)51(46)47-22-9-11-24-49(47)53(42-18-5-2-6-19-42)50-25-12-10-23-48(50)51/h1-33,35,44,46H,34H2/b52-35+
InChIKeyRQKQDWQKPNAYLS-RERHWPFLSA-N
XLogP12.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]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

2,4-diphenyl-6-[3-(4-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 167644198
CID 163666142
CID 163666142
12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine
CID 155484351
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 138484756
7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole
CID 135173123
[3-(benzyliminomethyl)phenyl]methanamine
CID 130181633
N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine
CID 170278089
5,12-diphenyl-13-(4-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl-1,3,5-triazin-2-yl)indolo[3,2-c]phenophosphazinine
CID 142355868
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
2-[7-(9,9'-spirobi[fluorene]-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]
CID 123276399
3-(9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;3-(6-naphthalen-1-yl-9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;9-phenyl-3-(6-phenyl-9H-fluoren-3-yl)-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(2-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(3-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(4-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole
CID 162048900

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]methanimine?
The IUPAC name of N-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]methanimine (CID 129263237) is N-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]methanimine.
What is the SMILES notation for N-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]methanimine?
The canonical SMILES for N-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]methanimine is C1=CC2C(C=C1c1cccc(/C=N/Cc3ccc(-c4ccccc4)cc3)c1)c1ccccc1C21c2ccccc2N(c2ccccc2)c2ccccc21.
What is the InChIKey of N-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]methanimine?
The InChIKey is RQKQDWQKPNAYLS-RERHWPFLSA-N. The full InChI is InChI=1S/C51H38N2/c1-3-15-38(16-4-1)39-28-26-36(27-29-39)34-52-35-37-14-13-17-40(32-37)41-30-31-46-44(33-41)43-20-7-8-21-45(43)51(46)47-22-9-11-24-49(47)53(42-18-5-2-6-19-42)50-25-12-10-23-48(50)51/h1-33,35,44,46H,34H2/b52-35+.
What are the key properties of N-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]methanimine?
N-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]methanimine has a molecular weight of 678.88 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylphenyl)methyl]-1-[3-(10'-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-3-yl)phenyl]methanimine is sourced from PubChem (CID 129263237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).