N-naphthalen-2-yl-N-phenanthren-9-yl-9,9a-dihydrodibenzofuran-4-amine

C36H25NO — CID 138488764

IUPACN-naphthalen-2-yl-N-phenanthren-9-yl-9,9a-dihydrodibenzofuran-4-amine
SMILESC1=CCC2C(=C1)Oc1c2cccc1N(c1ccc2ccccc2c1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C36H25NO/c1-2-11-25-22-27(21-20-24(25)10-1)37(33-18-9-17-32-31-16-7-8-19-35(31)38-36(32)33)34-23-26-12-3-4-13-28(26)29-14-5-6-15-30(29)34/h1-15,17-23,31H,16H2
InChIKeyUSAGOTROWFEJEU-UHFFFAOYSA-N
MW487.60 g/mol
LogP9.94
Rot. Bonds3

About N-naphthalen-2-yl-N-phenanthren-9-yl-9,9a-dihydrodibenzofuran-4-amine

N-naphthalen-2-yl-N-phenanthren-9-yl-9,9a-dihydrodibenzofuran-4-amine (PubChem CID 138488764) has the molecular formula C36H25NO and a molecular weight of 487.60 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-phenanthren-9-yl-9,9a-dihydrodibenzofuran-4-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-phenanthren-9-yl-9,9a-dihydrodibenzofuran-4-amine
PubChem CID138488764
Molecular FormulaC36H25NO
Molecular Weight487.60 g/mol
Exact Mass487.19
IUPAC NameN-naphthalen-2-yl-N-phenanthren-9-yl-9,9a-dihydrodibenzofuran-4-amine
SMILESC1=CCC2C(=C1)Oc1c2cccc1N(c1ccc2ccccc2c1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C36H25NO/c1-2-11-25-22-27(21-20-24(25)10-1)37(33-18-9-17-32-31-16-7-8-19-35(31)38-36(32)33)34-23-26-12-3-4-13-28(26)29-14-5-6-15-30(29)34/h1-15,17-23,31H,16H2
InChIKeyUSAGOTROWFEJEU-UHFFFAOYSA-N
XLogP9.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(9,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 170227433
N-benzo[c]phenanthren-6-yl-N-(3,4-diphenylphenyl)-9,9a-dihydrodibenzofuran-1-amine
CID 170227731
2-bromo-1-N,3-N-dinaphthalen-2-yl-1-N,3-N-di(phenanthren-9-yl)benzene-1,3-diamine
CID 164533977
N-benzo[c]phenanthren-5-yl-N-(9,9-dimethylfluoren-3-yl)-9,9a-dihydrodibenzofuran-3-amine
CID 170228260
N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405743
2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 174270374
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine
CID 160725263
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-phenylphenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163586209
N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 155305684
N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine
CID 170135515
CID 146819337
CID 146819337
naphthalene;2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 161142905

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-phenanthren-9-yl-9,9a-dihydrodibenzofuran-4-amine?
The IUPAC name of N-naphthalen-2-yl-N-phenanthren-9-yl-9,9a-dihydrodibenzofuran-4-amine (CID 138488764) is N-naphthalen-2-yl-N-phenanthren-9-yl-9,9a-dihydrodibenzofuran-4-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-phenanthren-9-yl-9,9a-dihydrodibenzofuran-4-amine?
The canonical SMILES for N-naphthalen-2-yl-N-phenanthren-9-yl-9,9a-dihydrodibenzofuran-4-amine is C1=CCC2C(=C1)Oc1c2cccc1N(c1ccc2ccccc2c1)c1cc2ccccc2c2ccccc12.
What is the InChIKey of N-naphthalen-2-yl-N-phenanthren-9-yl-9,9a-dihydrodibenzofuran-4-amine?
The InChIKey is USAGOTROWFEJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NO/c1-2-11-25-22-27(21-20-24(25)10-1)37(33-18-9-17-32-31-16-7-8-19-35(31)38-36(32)33)34-23-26-12-3-4-13-28(26)29-14-5-6-15-30(29)34/h1-15,17-23,31H,16H2.
What are the key properties of N-naphthalen-2-yl-N-phenanthren-9-yl-9,9a-dihydrodibenzofuran-4-amine?
N-naphthalen-2-yl-N-phenanthren-9-yl-9,9a-dihydrodibenzofuran-4-amine has a molecular weight of 487.60 g/mol, XLogP of 9.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-phenanthren-9-yl-9,9a-dihydrodibenzofuran-4-amine is sourced from PubChem (CID 138488764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).