benzo[k]fluoranthen-6-amine

C20H13N — CID 168911775

IUPACbenzo[k]fluoranthen-6-amine
SMILESNc1ccc2cccc3c2c1-c1cc2ccccc2cc1-3
InChIInChI=1S/C20H13N/c21-18-9-8-12-6-3-7-15-16-10-13-4-1-2-5-14(13)11-17(16)20(18)19(12)15/h1-11H,21H2
InChIKeyDUOKCMPLXXSUTQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP5.22
Rot. Bonds

About benzo[k]fluoranthen-6-amine

benzo[k]fluoranthen-6-amine (PubChem CID 168911775) has the molecular formula C20H13N and a molecular weight of 267.33 g/mol. Its IUPAC name is benzo[k]fluoranthen-6-amine.

Molecular Properties

Compound Namebenzo[k]fluoranthen-6-amine
PubChem CID168911775
Molecular FormulaC20H13N
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC Namebenzo[k]fluoranthen-6-amine
SMILESNc1ccc2cccc3c2c1-c1cc2ccccc2cc1-3
InChIInChI=1S/C20H13N/c21-18-9-8-12-6-3-7-15-16-10-13-4-1-2-5-14(13)11-17(16)20(18)19(12)15/h1-11H,21H2
InChIKeyDUOKCMPLXXSUTQ-UHFFFAOYSA-N
XLogP5.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.33
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

fluoranthen-1-amine
CID 25756
6-bromobenzo[k]fluoranthene
CID 86073860
3-(8-aminonaphthalen-1-yl)naphthalen-2-ol
CID 86216943
benzo[k]fluoranthene;ethane
CID 142369852
undecacyclo[27.11.1.111,15.02,28.04,26.05,23.08,22.010,20.030,35.037,41.019,42]dotetraconta-1(40),2(28),3,5(23),6,8,10(20),11,13,15(42),16,18,21,24,26,29(41),30,32,34,36,38-henicosaene
CID 163913395
1-(2-aminophenyl)naphthalen-2-amine
CID 11424829
2-(2-aminophenyl)benzene-1,3-diamine
CID 22068804
fluoranthene
CID 139203734
1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene
CID 139892613
N,N-diphenylhexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14(23),15,17,19,21-dodecaen-18-amine
CID 89254263
4-(2-aminophenyl)benzo[de]isoquinoline-1,3-dione
CID 68917144
boric acid;1-naphthalen-1-ylnaphthalen-2-amine
CID 174302114

Frequently Asked Questions

What is the IUPAC name of benzo[k]fluoranthen-6-amine?
The IUPAC name of benzo[k]fluoranthen-6-amine (CID 168911775) is benzo[k]fluoranthen-6-amine.
What is the SMILES notation for benzo[k]fluoranthen-6-amine?
The canonical SMILES for benzo[k]fluoranthen-6-amine is Nc1ccc2cccc3c2c1-c1cc2ccccc2cc1-3.
What is the InChIKey of benzo[k]fluoranthen-6-amine?
The InChIKey is DUOKCMPLXXSUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N/c21-18-9-8-12-6-3-7-15-16-10-13-4-1-2-5-14(13)11-17(16)20(18)19(12)15/h1-11H,21H2.
What are the key properties of benzo[k]fluoranthen-6-amine?
benzo[k]fluoranthen-6-amine has a molecular weight of 267.33 g/mol, XLogP of 5.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[k]fluoranthen-6-amine is sourced from PubChem (CID 168911775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).