4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline

C57H43NO — CID 90365685

IUPAC4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4ccc(-c5ccccc5-c5ccccc5)cc4)cc3)cccc21
InChIInChI=1S/C57H43NO/c1-57(2)53-25-13-14-27-55(53)59-56-52(24-15-26-54(56)57)44-32-38-47(39-33-44)58(45-34-28-42(29-35-45)50-22-11-9-20-48(50)40-16-5-3-6-17-40)46-36-30-43(31-37-46)51-23-12-10-21-49(51)41-18-7-4-8-19-41/h3-39H,1-2H3
InChIKeyFQCNSHKKCYYJBH-UHFFFAOYSA-N
MW757.98 g/mol
LogP15.92
Rot. Bonds8

About 4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline

4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline (PubChem CID 90365685) has the molecular formula C57H43NO and a molecular weight of 757.98 g/mol. Its IUPAC name is 4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
PubChem CID90365685
Molecular FormulaC57H43NO
Molecular Weight757.98 g/mol
Exact Mass757.33
IUPAC Name4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4ccc(-c5ccccc5-c5ccccc5)cc4)cc3)cccc21
InChIInChI=1S/C57H43NO/c1-57(2)53-25-13-14-27-55(53)59-56-52(24-15-26-54(56)57)44-32-38-47(39-33-44)58(45-34-28-42(29-35-45)50-22-11-9-20-48(50)40-16-5-3-6-17-40)46-36-30-43(31-37-46)51-23-12-10-21-49(51)41-18-7-4-8-19-41/h3-39H,1-2H3
InChIKeyFQCNSHKKCYYJBH-UHFFFAOYSA-N
XLogP15.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.98
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-phenylaniline
CID 90365671
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 90365643
bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158922186
4-[4-[4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]anilino]phenyl]-N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]aniline
CID 90365709
N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118133946
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118134290
N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine
CID 118134072
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-[4-(N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 90365627
9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene
CID 170018181
4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline
CID 159730276
4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 90365606
N-(9,9-dimethylxanthen-4-yl)-N-(4-phenylphenyl)phenoxathiin-4-amine
CID 118133993

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of 4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline (CID 90365685) is 4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for 4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline is CC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4ccc(-c5ccccc5-c5ccccc5)cc4)cc3)cccc21.
What is the InChIKey of 4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline?
The InChIKey is FQCNSHKKCYYJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43NO/c1-57(2)53-25-13-14-27-55(53)59-56-52(24-15-26-54(56)57)44-32-38-47(39-33-44)58(45-34-28-42(29-35-45)50-22-11-9-20-48(50)40-16-5-3-6-17-40)46-36-30-43(31-37-46)51-23-12-10-21-49(51)41-18-7-4-8-19-41/h3-39H,1-2H3.
What are the key properties of 4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline?
4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline has a molecular weight of 757.98 g/mol, XLogP of 15.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 90365685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).