9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine

C52H39N — CID 142481166

IUPAC9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cccc32)c2ccccc21
InChIInChI=1S/C52H39N/c1-51(2)44-22-11-13-24-46(44)52(47-25-14-12-23-45(47)51)43-21-10-9-20-42(43)50-48(52)26-15-27-49(50)53(40-32-28-38(29-33-40)36-16-5-3-6-17-36)41-34-30-39(31-35-41)37-18-7-4-8-19-37/h3-35H,1-2H3
InChIKeyHLNAGPXZKZTAOM-UHFFFAOYSA-N
MW677.89 g/mol
LogP13.49
Rot. Bonds5

About 9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine

9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine (PubChem CID 142481166) has the molecular formula C52H39N and a molecular weight of 677.89 g/mol. Its IUPAC name is 9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine.

Molecular Properties

Compound Name9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
PubChem CID142481166
Molecular FormulaC52H39N
Molecular Weight677.89 g/mol
Exact Mass677.31
IUPAC Name9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cccc32)c2ccccc21
InChIInChI=1S/C52H39N/c1-51(2)44-22-11-13-24-46(44)52(47-25-14-12-23-45(47)51)43-21-10-9-20-42(43)50-48(52)26-15-27-49(50)53(40-32-28-38(29-33-40)36-16-5-3-6-17-36)41-34-30-39(31-35-41)37-18-7-4-8-19-37/h3-35H,1-2H3
InChIKeyHLNAGPXZKZTAOM-UHFFFAOYSA-N
XLogP13.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.89
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-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

9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
CID 118153763
CID 118153763
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 161111412
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,4'-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258928
4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667094
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937
N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266411
4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 171799079
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine?
The IUPAC name of 9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine (CID 142481166) is 9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine.
What is the SMILES notation for 9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine?
The canonical SMILES for 9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cccc32)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine?
The InChIKey is HLNAGPXZKZTAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N/c1-51(2)44-22-11-13-24-46(44)52(47-25-14-12-23-45(47)51)43-21-10-9-20-42(43)50-48(52)26-15-27-49(50)53(40-32-28-38(29-33-40)36-16-5-3-6-17-36)41-34-30-39(31-35-41)37-18-7-4-8-19-37/h3-35H,1-2H3.
What are the key properties of 9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine?
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine has a molecular weight of 677.89 g/mol, XLogP of 13.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine is sourced from PubChem (CID 142481166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).