N-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine

C33H25NO2 — CID 146018624

IUPACN-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine
SMILESCc1ccc(NC2c3ccccc3Oc3ccccc32)c(C2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C33H25NO2/c1-21-18-19-27(34-33-24-12-4-8-16-30(24)36-31-17-9-5-13-25(31)33)26(20-21)32-22-10-2-6-14-28(22)35-29-15-7-3-11-23(29)32/h2-20,32-34H,1H3
InChIKeyXMMVGBCYRVNZBI-UHFFFAOYSA-N
MW467.57 g/mol
LogP8.59
Rot. Bonds3

About N-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine

N-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine (PubChem CID 146018624) has the molecular formula C33H25NO2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine.

Molecular Properties

Compound NameN-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine
PubChem CID146018624
Molecular FormulaC33H25NO2
Molecular Weight467.57 g/mol
Exact Mass467.19
IUPAC NameN-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine
SMILESCc1ccc(NC2c3ccccc3Oc3ccccc32)c(C2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C33H25NO2/c1-21-18-19-27(34-33-24-12-4-8-16-30(24)36-31-17-9-5-13-25(31)33)26(20-21)32-22-10-2-6-14-28(22)35-29-15-7-3-11-23(29)32/h2-20,32-34H,1H3
InChIKeyXMMVGBCYRVNZBI-UHFFFAOYSA-N
XLogP8.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methoxy-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine
CID 12535327
2,7-dimethyl-9-phenyl-9H-xanthene
CID 22643678
N-propan-2-yl-9H-xanthen-9-amine
CID 43344196
N-(9H-xanthen-9-yl)-1,3,4-thiadiazol-2-amine
CID 107648848
N-phenyl-2-(9H-xanthen-9-yl)aniline
CID 144844147
N-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine
CID 82720579
3-[(2-methyl-9H-xanthen-9-yl)sulfanyl]propan-1-amine
CID 12734133
6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene
CID 176994638
(3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one
CID 99644827
9-methyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-amine
CID 21420496
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 2391827
8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 22895103

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine?
The IUPAC name of N-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine (CID 146018624) is N-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine.
What is the SMILES notation for N-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine?
The canonical SMILES for N-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine is Cc1ccc(NC2c3ccccc3Oc3ccccc32)c(C2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of N-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine?
The InChIKey is XMMVGBCYRVNZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25NO2/c1-21-18-19-27(34-33-24-12-4-8-16-30(24)36-31-17-9-5-13-25(31)33)26(20-21)32-22-10-2-6-14-28(22)35-29-15-7-3-11-23(29)32/h2-20,32-34H,1H3.
What are the key properties of N-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine?
N-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine has a molecular weight of 467.57 g/mol, XLogP of 8.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine is sourced from PubChem (CID 146018624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).