N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline

C61H45N — CID 169019629

IUPACN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cccc(-c5ccc(-c6ccccc6)cc5)c4)cc3)cccc21
InChIInChI=1S/C61H45N/c1-61(2)58-23-9-8-20-57(58)60-56(22-12-24-59(60)61)49-35-39-52(40-36-49)62(53-18-10-17-50(41-53)46-27-25-43(26-28-46)42-13-4-3-5-14-42)51-37-33-45(34-38-51)44-29-31-48(32-30-44)55-21-11-16-47-15-6-7-19-54(47)55/h3-41H,1-2H3
InChIKeyXVMOMLUTVDWUGQ-UHFFFAOYSA-N
MW792.04 g/mol
LogP16.95
Rot. Bonds8

About N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline

N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline (PubChem CID 169019629) has the molecular formula C61H45N and a molecular weight of 792.04 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
PubChem CID169019629
Molecular FormulaC61H45N
Molecular Weight792.04 g/mol
Exact Mass791.36
IUPAC NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cccc(-c5ccc(-c6ccccc6)cc5)c4)cc3)cccc21
InChIInChI=1S/C61H45N/c1-61(2)58-23-9-8-20-57(58)60-56(22-12-24-59(60)61)49-35-39-52(40-36-49)62(53-18-10-17-50(41-53)46-27-25-43(26-28-46)42-13-4-3-5-14-42)51-37-33-45(34-38-51)44-29-31-48(32-30-44)55-21-11-16-47-15-6-7-19-54(47)55/h3-41H,1-2H3
InChIKeyXVMOMLUTVDWUGQ-UHFFFAOYSA-N
XLogP16.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.04
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline 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-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 169020312
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,3-bis(4-naphthalen-1-ylphenyl)aniline
CID 169019530
3-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019775
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 154972984
N-[4-(9,9-dimethyl-4-phenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 131994078
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 169020283
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169019655
3-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 169039754
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenylphenanthren-3-yl)phenyl]fluoren-2-amine
CID 138743065
9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine
CID 170417724
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline (CID 169019629) is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cccc(-c5ccc(-c6ccccc6)cc5)c4)cc3)cccc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline?
The InChIKey is XVMOMLUTVDWUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N/c1-61(2)58-23-9-8-20-57(58)60-56(22-12-24-59(60)61)49-35-39-52(40-36-49)62(53-18-10-17-50(41-53)46-27-25-43(26-28-46)42-13-4-3-5-14-42)51-37-33-45(34-38-51)44-29-31-48(32-30-44)55-21-11-16-47-15-6-7-19-54(47)55/h3-41H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline?
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline has a molecular weight of 792.04 g/mol, XLogP of 16.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline is sourced from PubChem (CID 169019629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).