9-anthracen-9-ylanthracen-1-amine

C28H19N — CID 139789956

IUPAC9-anthracen-9-ylanthracen-1-amine
SMILESNc1cccc2cc3ccccc3c(-c3c4ccccc4cc4ccccc34)c12
InChIInChI=1S/C28H19N/c29-25-15-7-11-21-17-20-10-3-6-14-24(20)28(26(21)25)27-22-12-4-1-8-18(22)16-19-9-2-5-13-23(19)27/h1-17H,29H2
InChIKeyIQHAUAQHBFQLPE-UHFFFAOYSA-N
MW369.47 g/mol
LogP7.55
Rot. Bonds1

About 9-anthracen-9-ylanthracen-1-amine

9-anthracen-9-ylanthracen-1-amine (PubChem CID 139789956) has the molecular formula C28H19N and a molecular weight of 369.47 g/mol. Its IUPAC name is 9-anthracen-9-ylanthracen-1-amine.

Molecular Properties

Compound Name9-anthracen-9-ylanthracen-1-amine
PubChem CID139789956
Molecular FormulaC28H19N
Molecular Weight369.47 g/mol
Exact Mass369.15
IUPAC Name9-anthracen-9-ylanthracen-1-amine
SMILESNc1cccc2cc3ccccc3c(-c3c4ccccc4cc4ccccc34)c12
InChIInChI=1S/C28H19N/c29-25-15-7-11-21-17-20-10-3-6-14-24(20)28(26(21)25)27-22-12-4-1-8-18(22)16-19-9-2-5-13-23(19)27/h1-17H,29H2
InChIKeyIQHAUAQHBFQLPE-UHFFFAOYSA-N
XLogP7.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-methylanthracen-1-amine
CID 23131270
9-anthracen-9-yl-1,10-dibromoanthracene
CID 141260299
triphenylen-1-amine
CID 11139339
2-(1-bromoanthracen-9-yl)-4-chloroaniline
CID 142720472
CID 135259743
CID 135259743
9-anthracen-9-ylanthracene;toluene
CID 86148014
acetonitrile;9-anthracen-9-ylanthracene
CID 71362371
benzo[h]quinoline-5,10-diamine
CID 121329472
2-anthracen-9-yl-4-chloroaniline
CID 167281672
azane;naphthalen-1-amine;dihydrochloride
CID 142719941
phenanthren-9-amine
CID 13695
2,4,6-tri(anthracen-9-yl)-1,3,5-triazine
CID 59336460

Frequently Asked Questions

What is the IUPAC name of 9-anthracen-9-ylanthracen-1-amine?
The IUPAC name of 9-anthracen-9-ylanthracen-1-amine (CID 139789956) is 9-anthracen-9-ylanthracen-1-amine.
What is the SMILES notation for 9-anthracen-9-ylanthracen-1-amine?
The canonical SMILES for 9-anthracen-9-ylanthracen-1-amine is Nc1cccc2cc3ccccc3c(-c3c4ccccc4cc4ccccc34)c12.
What is the InChIKey of 9-anthracen-9-ylanthracen-1-amine?
The InChIKey is IQHAUAQHBFQLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N/c29-25-15-7-11-21-17-20-10-3-6-14-24(20)28(26(21)25)27-22-12-4-1-8-18(22)16-19-9-2-5-13-23(19)27/h1-17H,29H2.
What are the key properties of 9-anthracen-9-ylanthracen-1-amine?
9-anthracen-9-ylanthracen-1-amine has a molecular weight of 369.47 g/mol, XLogP of 7.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-anthracen-9-ylanthracen-1-amine is sourced from PubChem (CID 139789956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).