4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline

C25H21NO — CID 45258388

IUPAC4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2c3ccccc3Oc3ccc4ccccc4c32)cc1
InChIInChI=1S/C25H21NO/c1-26(2)19-14-11-18(12-15-19)24-21-9-5-6-10-22(21)27-23-16-13-17-7-3-4-8-20(17)25(23)24/h3-16,24H,1-2H3
InChIKeyBTFBZOSNLWCCFM-UHFFFAOYSA-N
MW351.45 g/mol
LogP6.19
Rot. Bonds2

About 4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline

4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline (PubChem CID 45258388) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline
PubChem CID45258388
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2c3ccccc3Oc3ccc4ccccc4c32)cc1
InChIInChI=1S/C25H21NO/c1-26(2)19-14-11-18(12-15-19)24-21-9-5-6-10-22(21)27-23-16-13-17-7-3-4-8-20(17)25(23)24/h3-16,24H,1-2H3
InChIKeyBTFBZOSNLWCCFM-UHFFFAOYSA-N
XLogP6.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(10-phenylanthracen-9-yl)phenyl]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578133
4-[(2R)-2-(4-methoxyphenyl)-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaen-6-yl]-N,N-dimethylaniline
CID 40955145
12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene
CID 146578726
2-(4-phenanthren-9-ylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578169
2-(4-dodecylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 102173164
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
12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene
CID 154964818
12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene
CID 45258152
2-(4-dibenzofuran-3-ylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578788
2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran
CID 132583802
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
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578778

Frequently Asked Questions

What is the IUPAC name of 4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline (CID 45258388) is 4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline is CN(C)c1ccc(C2c3ccccc3Oc3ccc4ccccc4c32)cc1.
What is the InChIKey of 4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline?
The InChIKey is BTFBZOSNLWCCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c1-26(2)19-14-11-18(12-15-19)24-21-9-5-6-10-22(21)27-23-16-13-17-7-3-4-8-20(17)25(23)24/h3-16,24H,1-2H3.
What are the key properties of 4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline?
4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline has a molecular weight of 351.45 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline is sourced from PubChem (CID 45258388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).