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

C53H39NO — CID 90365672

IUPACN-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)cc21
InChIInChI=1S/C53H39NO/c1-53(2)49-13-7-8-14-51(49)55-52-32-25-45(35-50(52)53)40-23-30-48(31-24-40)54(46-26-19-38(20-27-46)43-17-15-36-9-3-5-11-41(36)33-43)47-28-21-39(22-29-47)44-18-16-37-10-4-6-12-42(37)34-44/h3-35H,1-2H3
InChIKeyKDVNGARTACSQJV-UHFFFAOYSA-N
MW705.90 g/mol
LogP14.90
Rot. Bonds6

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

N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 90365672) has the molecular formula C53H39NO and a molecular weight of 705.90 g/mol. Its IUPAC name is N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID90365672
Molecular FormulaC53H39NO
Molecular Weight705.90 g/mol
Exact Mass705.30
IUPAC NameN-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)cc21
InChIInChI=1S/C53H39NO/c1-53(2)49-13-7-8-14-51(49)55-52-32-25-45(35-50(52)53)40-23-30-48(31-24-40)54(46-26-19-38(20-27-46)43-17-15-36-9-3-5-11-41(36)33-43)47-28-21-39(22-29-47)44-18-16-37-10-4-6-12-42(37)34-44/h3-35H,1-2H3
InChIKeyKDVNGARTACSQJV-UHFFFAOYSA-N
XLogP14.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.90
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 90365679
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-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline (CID 90365672) is N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline is CC1(C)c2ccccc2Oc2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is KDVNGARTACSQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39NO/c1-53(2)49-13-7-8-14-51(49)55-52-32-25-45(35-50(52)53)40-23-30-48(31-24-40)54(46-26-19-38(20-27-46)43-17-15-36-9-3-5-11-41(36)33-43)47-28-21-39(22-29-47)44-18-16-37-10-4-6-12-42(37)34-44/h3-35H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline?
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 705.90 g/mol, XLogP of 14.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 90365672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).