11-naphthalen-1-ylbenzo[c]phenanthridin-6-amine

C27H18N2 — CID 11280154

IUPAC11-naphthalen-1-ylbenzo[c]phenanthridin-6-amine
SMILESNc1nc2c3ccccc3cc(-c3cccc4ccccc34)c2c2ccccc12
InChIInChI=1S/C27H18N2/c28-27-23-14-6-5-13-22(23)25-24(16-18-9-2-4-12-20(18)26(25)29-27)21-15-7-10-17-8-1-3-11-19(17)21/h1-16H,(H2,28,29)
InChIKeyHNRCETVPDQGLFB-UHFFFAOYSA-N
MW370.46 g/mol
LogP6.94
Rot. Bonds1

About 11-naphthalen-1-ylbenzo[c]phenanthridin-6-amine

11-naphthalen-1-ylbenzo[c]phenanthridin-6-amine (PubChem CID 11280154) has the molecular formula C27H18N2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 11-naphthalen-1-ylbenzo[c]phenanthridin-6-amine.

Molecular Properties

Compound Name11-naphthalen-1-ylbenzo[c]phenanthridin-6-amine
PubChem CID11280154
Molecular FormulaC27H18N2
Molecular Weight370.46 g/mol
Exact Mass370.15
IUPAC Name11-naphthalen-1-ylbenzo[c]phenanthridin-6-amine
SMILESNc1nc2c3ccccc3cc(-c3cccc4ccccc34)c2c2ccccc12
InChIInChI=1S/C27H18N2/c28-27-23-14-6-5-13-22(23)25-24(16-18-9-2-4-12-20(18)26(25)29-27)21-15-7-10-17-8-1-3-11-19(17)21/h1-16H,(H2,28,29)
InChIKeyHNRCETVPDQGLFB-UHFFFAOYSA-N
XLogP6.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine
CID 11260750
11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine
CID 11361877
9-naphthalen-1-ylphenanthrene
CID 20606742
9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 160967595
6-naphthalen-1-ylbenzo[c]phenanthrene
CID 123608674
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 69242330

Frequently Asked Questions

What is the IUPAC name of 11-naphthalen-1-ylbenzo[c]phenanthridin-6-amine?
The IUPAC name of 11-naphthalen-1-ylbenzo[c]phenanthridin-6-amine (CID 11280154) is 11-naphthalen-1-ylbenzo[c]phenanthridin-6-amine.
What is the SMILES notation for 11-naphthalen-1-ylbenzo[c]phenanthridin-6-amine?
The canonical SMILES for 11-naphthalen-1-ylbenzo[c]phenanthridin-6-amine is Nc1nc2c3ccccc3cc(-c3cccc4ccccc34)c2c2ccccc12.
What is the InChIKey of 11-naphthalen-1-ylbenzo[c]phenanthridin-6-amine?
The InChIKey is HNRCETVPDQGLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2/c28-27-23-14-6-5-13-22(23)25-24(16-18-9-2-4-12-20(18)26(25)29-27)21-15-7-10-17-8-1-3-11-19(17)21/h1-16H,(H2,28,29).
What are the key properties of 11-naphthalen-1-ylbenzo[c]phenanthridin-6-amine?
11-naphthalen-1-ylbenzo[c]phenanthridin-6-amine has a molecular weight of 370.46 g/mol, XLogP of 6.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-naphthalen-1-ylbenzo[c]phenanthridin-6-amine is sourced from PubChem (CID 11280154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).