N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine

C37H29NO — CID 118133946

IUPACN-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cccc21
InChIInChI=1S/C37H29NO/c1-37(2)32-18-8-9-21-35(32)39-36-31(17-11-19-33(36)37)27-22-24-29(25-23-27)38(28-14-4-3-5-15-28)34-20-10-13-26-12-6-7-16-30(26)34/h3-25H,1-2H3
InChIKeyLBKZAHOEYYDBRE-UHFFFAOYSA-N
MW503.65 g/mol
LogP10.41
Rot. Bonds4

About N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine

N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 118133946) has the molecular formula C37H29NO and a molecular weight of 503.65 g/mol. Its IUPAC name is N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
PubChem CID118133946
Molecular FormulaC37H29NO
Molecular Weight503.65 g/mol
Exact Mass503.22
IUPAC NameN-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cccc21
InChIInChI=1S/C37H29NO/c1-37(2)32-18-8-9-21-35(32)39-36-31(17-11-19-33(36)37)27-22-24-29(25-23-27)38(28-14-4-3-5-15-28)34-20-10-13-26-12-6-7-16-30(26)34/h3-25H,1-2H3
InChIKeyLBKZAHOEYYDBRE-UHFFFAOYSA-N
XLogP10.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine
CID 118134072
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-phenylaniline
CID 90365671
4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 90365685
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 90365643
N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118134188
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
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
CID 167176862
N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylthioxanthen-4-amine
CID 118134091
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
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;4-(9,9-dimethylxanthen-4-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-(7,9,9-triphenylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 158645272
N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 118081268
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine (CID 118133946) is N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine is CC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cccc21.
What is the InChIKey of N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is LBKZAHOEYYDBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29NO/c1-37(2)32-18-8-9-21-35(32)39-36-31(17-11-19-33(36)37)27-22-24-29(25-23-27)38(28-14-4-3-5-15-28)34-20-10-13-26-12-6-7-16-30(26)34/h3-25H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine?
N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 503.65 g/mol, XLogP of 10.41, 4 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-4-yl)phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 118133946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).