N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine

C38H23NO2 — CID 121325451

IUPACN-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
SMILESc1ccc2c(c1)ccc1ccc(N(c3cccc4oc5ccccc5c34)c3cccc4oc5ccccc5c34)cc12
InChIInChI=1S/C38H23NO2/c1-2-10-27-24(9-1)19-20-25-21-22-26(23-30(25)27)39(31-13-7-17-35-37(31)28-11-3-5-15-33(28)40-35)32-14-8-18-36-38(32)29-12-4-6-16-34(29)41-36/h1-23H
InChIKeyYFMKVFURKGKEAH-UHFFFAOYSA-N
MW525.61 g/mol
LogP11.26
Rot. Bonds3

About N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine

N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine (PubChem CID 121325451) has the molecular formula C38H23NO2 and a molecular weight of 525.61 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
PubChem CID121325451
Molecular FormulaC38H23NO2
Molecular Weight525.61 g/mol
Exact Mass525.17
IUPAC NameN-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
SMILESc1ccc2c(c1)ccc1ccc(N(c3cccc4oc5ccccc5c34)c3cccc4oc5ccccc5c34)cc12
InChIInChI=1S/C38H23NO2/c1-2-10-27-24(9-1)19-20-25-21-22-26(23-30(25)27)39(31-13-7-17-35-37(31)28-11-3-5-15-33(28)40-35)32-14-8-18-36-38(32)29-12-4-6-16-34(29)41-36/h1-23H
InChIKeyYFMKVFURKGKEAH-UHFFFAOYSA-N
XLogP11.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 155305684
N-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine
CID 121325395
N-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810700
N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170137179
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-1-amine
CID 174256291
N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 174256672
2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 89254530
N-(4-phenanthren-2-ylphenyl)-N-[3-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810721
N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 121325423
N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170136843
N-benzo[c]phenanthren-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 167184393
N-dibenzofuran-1-yl-N-(4-phenanthren-3-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-3-amine
CID 176765441

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine (CID 121325451) is N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine is c1ccc2c(c1)ccc1ccc(N(c3cccc4oc5ccccc5c34)c3cccc4oc5ccccc5c34)cc12.
What is the InChIKey of N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine?
The InChIKey is YFMKVFURKGKEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NO2/c1-2-10-27-24(9-1)19-20-25-21-22-26(23-30(25)27)39(31-13-7-17-35-37(31)28-11-3-5-15-33(28)40-35)32-14-8-18-36-38(32)29-12-4-6-16-34(29)41-36/h1-23H.
What are the key properties of N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine?
N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine has a molecular weight of 525.61 g/mol, XLogP of 11.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine is sourced from PubChem (CID 121325451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).