N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine

C43H31NO3 — CID 118134072

IUPACN-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine
SMILESCC1(C)c2ccccc2Oc2c(N(c3ccc(-c4cccc5c4Oc4ccccc4O5)cc3)c3cccc4ccccc34)cccc21
InChIInChI=1S/C43H31NO3/c1-43(2)33-16-5-6-20-37(33)46-42-34(43)17-11-19-36(42)44(35-18-9-13-28-12-3-4-14-31(28)35)30-26-24-29(25-27-30)32-15-10-23-40-41(32)47-39-22-8-7-21-38(39)45-40/h3-27H,1-2H3
InChIKeyMDOVIZWIRIHYBU-UHFFFAOYSA-N
MW609.73 g/mol
LogP12.31
Rot. Bonds4

About N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine

N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine (PubChem CID 118134072) has the molecular formula C43H31NO3 and a molecular weight of 609.73 g/mol. Its IUPAC name is N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine
PubChem CID118134072
Molecular FormulaC43H31NO3
Molecular Weight609.73 g/mol
Exact Mass609.23
IUPAC NameN-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine
SMILESCC1(C)c2ccccc2Oc2c(N(c3ccc(-c4cccc5c4Oc4ccccc4O5)cc3)c3cccc4ccccc34)cccc21
InChIInChI=1S/C43H31NO3/c1-43(2)33-16-5-6-20-37(33)46-42-34(43)17-11-19-36(42)44(35-18-9-13-28-12-3-4-14-31(28)35)30-26-24-29(25-27-30)32-15-10-23-40-41(32)47-39-22-8-7-21-38(39)45-40/h3-27H,1-2H3
InChIKeyMDOVIZWIRIHYBU-UHFFFAOYSA-N
XLogP12.31
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.73
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118133946
N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylthioxanthen-4-amine
CID 118134091
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-phenylaniline
CID 90365671
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 90365643
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
CID 167176862
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
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
12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine
CID 161304661
N-(9,9-dimethylxanthen-4-yl)-N-(4-phenylphenyl)phenoxathiin-4-amine
CID 118133993
4-(9,9-dimethylxanthen-2-yl)-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 90365606

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine?
The IUPAC name of N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine (CID 118134072) is N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine.
What is the SMILES notation for N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine?
The canonical SMILES for N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine is CC1(C)c2ccccc2Oc2c(N(c3ccc(-c4cccc5c4Oc4ccccc4O5)cc3)c3cccc4ccccc34)cccc21.
What is the InChIKey of N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine?
The InChIKey is MDOVIZWIRIHYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NO3/c1-43(2)33-16-5-6-20-37(33)46-42-34(43)17-11-19-36(42)44(35-18-9-13-28-12-3-4-14-31(28)35)30-26-24-29(25-27-30)32-15-10-23-40-41(32)47-39-22-8-7-21-38(39)45-40/h3-27H,1-2H3.
What are the key properties of N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine?
N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine has a molecular weight of 609.73 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine is sourced from PubChem (CID 118134072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).