4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine

C46H29NO — CID 176820677

IUPAC4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine
SMILESc1ccc2cc(N(c3cccc4c3ccc3ccccc34)c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)ccc2c1
InChIInChI=1S/C46H29NO/c1-2-14-33-29-34(25-23-30(33)11-1)47(42-21-10-20-37-36-17-6-4-13-32(36)24-26-39(37)42)43-28-27-40(38-19-9-15-31-12-3-5-16-35(31)38)46-45(43)41-18-7-8-22-44(41)48-46/h1-29H
InChIKeyUROBTTTYQWPECR-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

About 4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine

4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine (PubChem CID 176820677) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine
PubChem CID176820677
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC Name4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine
SMILESc1ccc2cc(N(c3cccc4c3ccc3ccccc34)c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)ccc2c1
InChIInChI=1S/C46H29NO/c1-2-14-33-29-34(25-23-30(33)11-1)47(42-21-10-20-37-36-17-6-4-13-32(36)24-26-39(37)42)43-28-27-40(38-19-9-15-31-12-3-5-16-35(31)38)46-45(43)41-18-7-8-22-44(41)48-46/h1-29H
InChIKeyUROBTTTYQWPECR-UHFFFAOYSA-N
XLogP13.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.74
LogP ≤ 513.34
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

4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine
CID 176821012
4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine
CID 176821108
N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820707
N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821447
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine
CID 176820794
N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine
CID 176820953
N-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine
CID 176821436
N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820432
4-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069895
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 170130871
N-phenanthren-2-yl-N-phenanthren-9-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820506
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine (CID 176820677) is 4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine is c1ccc2cc(N(c3cccc4c3ccc3ccccc34)c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)ccc2c1.
What is the InChIKey of 4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine?
The InChIKey is UROBTTTYQWPECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-2-14-33-29-34(25-23-30(33)11-1)47(42-21-10-20-37-36-17-6-4-13-32(36)24-26-39(37)42)43-28-27-40(38-19-9-15-31-12-3-5-16-35(31)38)46-45(43)41-18-7-8-22-44(41)48-46/h1-29H.
What are the key properties of 4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine?
4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine has a molecular weight of 611.74 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine is sourced from PubChem (CID 176820677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).