N-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

C48H34N2 — CID 139499291

IUPACN-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ncc5c6c(cccc46)-c4ccccc4-5)cc3)cccc21
InChIInChI=1S/C48H34N2/c1-48(2)42-19-9-8-16-39(42)46-43(48)20-11-21-44(46)50(34-26-22-32(23-27-34)31-12-4-3-5-13-31)35-28-24-33(25-29-35)47-40-18-10-17-38-36-14-6-7-15-37(36)41(30-49-47)45(38)40/h3-30H,1-2H3
InChIKeyXESKHXFPXUGQSI-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.99
Rot. Bonds5

About N-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

N-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 139499291) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is N-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID139499291
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC NameN-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ncc5c6c(cccc46)-c4ccccc4-5)cc3)cccc21
InChIInChI=1S/C48H34N2/c1-48(2)42-19-9-8-16-39(42)46-43(48)20-11-21-44(46)50(34-26-22-32(23-27-34)31-12-4-3-5-13-31)35-28-24-33(25-29-35)47-40-18-10-17-38-36-14-6-7-15-37(36)41(30-49-47)45(38)40/h3-30H,1-2H3
InChIKeyXESKHXFPXUGQSI-UHFFFAOYSA-N
XLogP12.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)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

N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine
CID 139498840
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;N-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;N-[4-(12,14-diphenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-6-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 160683735
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)phenyl]fluoren-4-amine
CID 139499292
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139498923
N-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 167285886
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168788466
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of N-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (CID 139499291) is N-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for N-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for N-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ncc5c6c(cccc46)-c4ccccc4-5)cc3)cccc21.
What is the InChIKey of N-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is XESKHXFPXUGQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-48(2)42-19-9-8-16-39(42)46-43(48)20-11-21-44(46)50(34-26-22-32(23-27-34)31-12-4-3-5-13-31)35-28-24-33(25-29-35)47-40-18-10-17-38-36-14-6-7-15-37(36)41(30-49-47)45(38)40/h3-30H,1-2H3.
What are the key properties of N-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
N-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 638.81 g/mol, XLogP of 12.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 139499291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).