N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

C54H45N — CID 123648754

IUPACN-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C(CCc5ccccc5)c5ccccc5)cc4)cc3)cccc21
InChIInChI=1S/C54H45N/c1-54(2)50-22-13-12-21-49(50)53-51(54)23-14-24-52(53)55(46-34-30-42(31-35-46)40-17-8-4-9-18-40)47-36-32-43(33-37-47)41-26-28-45(29-27-41)48(44-19-10-5-11-20-44)38-25-39-15-6-3-7-16-39/h3-24,26-37,48H,25,38H2,1-2H3
InChIKeyNQPBRGSNPHODQO-UHFFFAOYSA-N
MW707.96 g/mol
LogP14.56
Rot. Bonds10

About N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 123648754) has the molecular formula C54H45N and a molecular weight of 707.96 g/mol. Its IUPAC name is N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID123648754
Molecular FormulaC54H45N
Molecular Weight707.96 g/mol
Exact Mass707.36
IUPAC NameN-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C(CCc5ccccc5)c5ccccc5)cc4)cc3)cccc21
InChIInChI=1S/C54H45N/c1-54(2)50-22-13-12-21-49(50)53-51(54)23-14-24-52(53)55(46-34-30-42(31-35-46)40-17-8-4-9-18-40)47-36-32-43(33-37-47)41-26-28-45(29-27-41)48(44-19-10-5-11-20-44)38-25-39-15-6-3-7-16-39/h3-24,26-37,48H,25,38H2,1-2H3
InChIKeyNQPBRGSNPHODQO-UHFFFAOYSA-N
XLogP14.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.96
LogP ≤ 514.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-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-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155214818
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
N-(3,4-dimethylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 142515720
N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine
CID 139498840
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 167197127
N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 166028521
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,4'-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258928

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (CID 123648754) is N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C(CCc5ccccc5)c5ccccc5)cc4)cc3)cccc21.
What is the InChIKey of N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is NQPBRGSNPHODQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45N/c1-54(2)50-22-13-12-21-49(50)53-51(54)23-14-24-52(53)55(46-34-30-42(31-35-46)40-17-8-4-9-18-40)47-36-32-43(33-37-47)41-26-28-45(29-27-41)48(44-19-10-5-11-20-44)38-25-39-15-6-3-7-16-39/h3-24,26-37,48H,25,38H2,1-2H3.
What are the key properties of N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 707.96 g/mol, XLogP of 14.56, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 123648754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).