N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline

C58H45NO2 — CID 90365679

IUPACN,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5O6)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)cc21
InChIInChI=1S/C58H45NO2/c1-57(2)49-13-7-9-15-53(49)60-55-33-25-44(36-51(55)57)40-21-29-47(30-22-40)59(46-27-19-39(20-28-46)43-18-17-38-11-5-6-12-42(38)35-43)48-31-23-41(24-32-48)45-26-34-56-52(37-45)58(3,4)50-14-8-10-16-54(50)61-56/h5-37H,1-4H3
InChIKeyJSJVZNPBXRTXHM-UHFFFAOYSA-N
MW788.00 g/mol
LogP16.17
Rot. Bonds6

About N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline

N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline (PubChem CID 90365679) has the molecular formula C58H45NO2 and a molecular weight of 788.00 g/mol. Its IUPAC name is N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline.

Molecular Properties

Compound NameN,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
PubChem CID90365679
Molecular FormulaC58H45NO2
Molecular Weight788.00 g/mol
Exact Mass787.35
IUPAC NameN,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5O6)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)cc21
InChIInChI=1S/C58H45NO2/c1-57(2)49-13-7-9-15-53(49)60-55-33-25-44(36-51(55)57)40-21-29-47(30-22-40)59(46-27-19-39(20-28-46)43-18-17-38-11-5-6-12-42(38)35-43)48-31-23-41(24-32-48)45-26-34-56-52(37-45)58(3,4)50-14-8-10-16-54(50)61-56/h5-37H,1-4H3
InChIKeyJSJVZNPBXRTXHM-UHFFFAOYSA-N
XLogP16.17
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.00
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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]-N-[4-[4-(N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 90365627
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
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118134290
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 90365606
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
2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163787598
4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 167176702
N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 164744877
6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 121419333
2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene
CID 70935966

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline?
The IUPAC name of N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline (CID 90365679) is N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline.
What is the SMILES notation for N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline?
The canonical SMILES for N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline is CC1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5O6)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)cc21.
What is the InChIKey of N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline?
The InChIKey is JSJVZNPBXRTXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45NO2/c1-57(2)49-13-7-9-15-53(49)60-55-33-25-44(36-51(55)57)40-21-29-47(30-22-40)59(46-27-19-39(20-28-46)43-18-17-38-11-5-6-12-42(38)35-43)48-31-23-41(24-32-48)45-26-34-56-52(37-45)58(3,4)50-14-8-10-16-54(50)61-56/h5-37H,1-4H3.
What are the key properties of N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline?
N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline has a molecular weight of 788.00 g/mol, XLogP of 16.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline is sourced from PubChem (CID 90365679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).