4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline

C64H49NO2 — CID 90365606

IUPAC4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5O6)cc4)c4ccc(-c5ccccc5-c5cccc6ccccc56)cc4)cc3)cc21
InChIInChI=1S/C64H49NO2/c1-63(2)55-20-9-11-22-59(55)66-61-38-30-46(40-57(61)63)42-24-32-48(33-25-42)65(49-34-26-43(27-35-49)47-31-39-62-58(41-47)64(3,4)56-21-10-12-23-60(56)67-62)50-36-28-45(29-37-50)52-17-7-8-18-53(52)54-19-13-15-44-14-5-6-16-51(44)54/h5-41H,1-4H3
InChIKeyIBRFODMJFRKGCL-UHFFFAOYSA-N
MW864.10 g/mol
LogP17.84
Rot. Bonds7

About 4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline

4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline (PubChem CID 90365606) has the molecular formula C64H49NO2 and a molecular weight of 864.10 g/mol. Its IUPAC name is 4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline
PubChem CID90365606
Molecular FormulaC64H49NO2
Molecular Weight864.10 g/mol
Exact Mass863.38
IUPAC Name4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5O6)cc4)c4ccc(-c5ccccc5-c5cccc6ccccc56)cc4)cc3)cc21
InChIInChI=1S/C64H49NO2/c1-63(2)55-20-9-11-22-59(55)66-61-38-30-46(40-57(61)63)42-24-32-48(33-25-42)65(49-34-26-43(27-35-49)47-31-39-62-58(41-47)64(3,4)56-21-10-12-23-60(56)67-62)50-36-28-45(29-37-50)52-17-7-8-18-53(52)54-19-13-15-44-14-5-6-16-51(44)54/h5-41H,1-4H3
InChIKeyIBRFODMJFRKGCL-UHFFFAOYSA-N
XLogP17.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.10
LogP ≤ 517.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 90365703
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,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 90365679
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 90365672
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118134290
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
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
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine
CID 118428459
N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118133946
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
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 90365643

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline?
The IUPAC name of 4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline (CID 90365606) is 4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline.
What is the SMILES notation for 4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline?
The canonical SMILES for 4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline is CC1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5O6)cc4)c4ccc(-c5ccccc5-c5cccc6ccccc56)cc4)cc3)cc21.
What is the InChIKey of 4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline?
The InChIKey is IBRFODMJFRKGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49NO2/c1-63(2)55-20-9-11-22-59(55)66-61-38-30-46(40-57(61)63)42-24-32-48(33-25-42)65(49-34-26-43(27-35-49)47-31-39-62-58(41-47)64(3,4)56-21-10-12-23-60(56)67-62)50-36-28-45(29-37-50)52-17-7-8-18-53(52)54-19-13-15-44-14-5-6-16-51(44)54/h5-41H,1-4H3.
What are the key properties of 4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline?
4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline has a molecular weight of 864.10 g/mol, XLogP of 17.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline is sourced from PubChem (CID 90365606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).