N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine

C44H29NO2 — CID 138581462

IUPACN-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
SMILESCN(c1ccc(-c2ccccc2)cc1)c1cccc2c1Oc1ccc3c(c1O2)-c1ccccc1C31c2ccccc2-c2ccccc21
InChIInChI=1S/C44H29NO2/c1-45(30-24-22-29(23-25-30)28-12-3-2-4-13-28)38-20-11-21-39-42(38)46-40-27-26-37-41(43(40)47-39)33-16-7-10-19-36(33)44(37)34-17-8-5-14-31(34)32-15-6-9-18-35(32)44/h2-27H,1H3
InChIKeyATZYKMULIDEGMZ-UHFFFAOYSA-N
MW603.72 g/mol
LogP11.36
Rot. Bonds3

About N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine

N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine (PubChem CID 138581462) has the molecular formula C44H29NO2 and a molecular weight of 603.72 g/mol. Its IUPAC name is N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine.

Molecular Properties

Compound NameN-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
PubChem CID138581462
Molecular FormulaC44H29NO2
Molecular Weight603.72 g/mol
Exact Mass603.22
IUPAC NameN-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
SMILESCN(c1ccc(-c2ccccc2)cc1)c1cccc2c1Oc1ccc3c(c1O2)-c1ccccc1C31c2ccccc2-c2ccccc21
InChIInChI=1S/C44H29NO2/c1-45(30-24-22-29(23-25-30)28-12-3-2-4-13-28)38-20-11-21-39-42(38)46-40-27-26-37-41(43(40)47-39)33-16-7-10-19-36(33)44(37)34-17-8-5-14-31(34)32-15-6-9-18-35(32)44/h2-27H,1H3
InChIKeyATZYKMULIDEGMZ-UHFFFAOYSA-N
XLogP11.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.72
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine 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

N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
CID 138581435
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine
CID 129309035
N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline
CID 138582355
N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
CID 138581592
N-(2-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
CID 138581589
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline
CID 142480693
N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582107
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
CID 138582046
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 166028521
N-[4-(4-phenylphenyl)phenyl]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138477697
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 138477297

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine?
The IUPAC name of N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine (CID 138581462) is N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine.
What is the SMILES notation for N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine?
The canonical SMILES for N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine is CN(c1ccc(-c2ccccc2)cc1)c1cccc2c1Oc1ccc3c(c1O2)-c1ccccc1C31c2ccccc2-c2ccccc21.
What is the InChIKey of N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine?
The InChIKey is ATZYKMULIDEGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO2/c1-45(30-24-22-29(23-25-30)28-12-3-2-4-13-28)38-20-11-21-39-42(38)46-40-27-26-37-41(43(40)47-39)33-16-7-10-19-36(33)44(37)34-17-8-5-14-31(34)32-15-6-9-18-35(32)44/h2-27H,1H3.
What are the key properties of N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine?
N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine has a molecular weight of 603.72 g/mol, XLogP of 11.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine is sourced from PubChem (CID 138581462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).