N-phenylfluoranthen-8-amine

C22H15N — CID 12546982

IUPACN-phenylfluoranthen-8-amine
SMILESc1ccc(Nc2ccc3c(c2)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C22H15N/c1-2-8-16(9-3-1)23-17-12-13-18-19-10-4-6-15-7-5-11-20(22(15)19)21(18)14-17/h1-14,23H
InChIKeyPWPLPIZPUDBZGF-UHFFFAOYSA-N
MW293.37 g/mol
LogP6.23
Rot. Bonds2

About N-phenylfluoranthen-8-amine

N-phenylfluoranthen-8-amine (PubChem CID 12546982) has the molecular formula C22H15N and a molecular weight of 293.37 g/mol. Its IUPAC name is N-phenylfluoranthen-8-amine.

Molecular Properties

Compound NameN-phenylfluoranthen-8-amine
PubChem CID12546982
Molecular FormulaC22H15N
Molecular Weight293.37 g/mol
Exact Mass293.12
IUPAC NameN-phenylfluoranthen-8-amine
SMILESc1ccc(Nc2ccc3c(c2)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C22H15N/c1-2-8-16(9-3-1)23-17-12-13-18-19-10-4-6-15-7-5-11-20(22(15)19)21(18)14-17/h1-14,23H
InChIKeyPWPLPIZPUDBZGF-UHFFFAOYSA-N
XLogP6.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.37
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenylfluoranthen-8-amine?
The IUPAC name of N-phenylfluoranthen-8-amine (CID 12546982) is N-phenylfluoranthen-8-amine.
What is the SMILES notation for N-phenylfluoranthen-8-amine?
The canonical SMILES for N-phenylfluoranthen-8-amine is c1ccc(Nc2ccc3c(c2)-c2cccc4cccc-3c24)cc1.
What is the InChIKey of N-phenylfluoranthen-8-amine?
The InChIKey is PWPLPIZPUDBZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N/c1-2-8-16(9-3-1)23-17-12-13-18-19-10-4-6-15-7-5-11-20(22(15)19)21(18)14-17/h1-14,23H.
What are the key properties of N-phenylfluoranthen-8-amine?
N-phenylfluoranthen-8-amine has a molecular weight of 293.37 g/mol, XLogP of 6.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylfluoranthen-8-amine is sourced from PubChem (CID 12546982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).