3,6-diphenylphenanthren-9-amine

C26H19N — CID 118552026

IUPAC3,6-diphenylphenanthren-9-amine
SMILESNc1cc2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C26H19N/c27-26-17-22-12-11-20(18-7-3-1-4-8-18)15-24(22)25-16-21(13-14-23(25)26)19-9-5-2-6-10-19/h1-17H,27H2
InChIKeyLHLIEOWBYXEPBZ-UHFFFAOYSA-N
MW345.44 g/mol
LogP6.91
Rot. Bonds2

About 3,6-diphenylphenanthren-9-amine

3,6-diphenylphenanthren-9-amine (PubChem CID 118552026) has the molecular formula C26H19N and a molecular weight of 345.44 g/mol. Its IUPAC name is 3,6-diphenylphenanthren-9-amine.

Molecular Properties

Compound Name3,6-diphenylphenanthren-9-amine
PubChem CID118552026
Molecular FormulaC26H19N
Molecular Weight345.44 g/mol
Exact Mass345.15
IUPAC Name3,6-diphenylphenanthren-9-amine
SMILESNc1cc2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C26H19N/c27-26-17-22-12-11-20(18-7-3-1-4-8-18)15-24(22)25-16-21(13-14-23(25)26)19-9-5-2-6-10-19/h1-17H,27H2
InChIKeyLHLIEOWBYXEPBZ-UHFFFAOYSA-N
XLogP6.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3,9-bis(3,5-diphenylphenyl)chrysene
CID 123616351
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
3-(6-naphthalen-2-ylnaphthalen-2-yl)-9-phenylchrysene
CID 123868192
3-phenylbenzo[a]anthracene
CID 59412661
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
5,10-diphenylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 134958577
2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene
CID 59583058
28-phenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2(20),3,5,7,9(34),10,12,14,16,18,21,23,25,27,29,31-heptadecaene
CID 123834956
2,3,7-triphenylnaphthalen-1-amine
CID 174953963
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenylphenanthren-9-amine?
The IUPAC name of 3,6-diphenylphenanthren-9-amine (CID 118552026) is 3,6-diphenylphenanthren-9-amine.
What is the SMILES notation for 3,6-diphenylphenanthren-9-amine?
The canonical SMILES for 3,6-diphenylphenanthren-9-amine is Nc1cc2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc12.
What is the InChIKey of 3,6-diphenylphenanthren-9-amine?
The InChIKey is LHLIEOWBYXEPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N/c27-26-17-22-12-11-20(18-7-3-1-4-8-18)15-24(22)25-16-21(13-14-23(25)26)19-9-5-2-6-10-19/h1-17H,27H2.
What are the key properties of 3,6-diphenylphenanthren-9-amine?
3,6-diphenylphenanthren-9-amine has a molecular weight of 345.44 g/mol, XLogP of 6.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenylphenanthren-9-amine is sourced from PubChem (CID 118552026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).