N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine

C38H23NO2 — CID 169315832

IUPACN-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine
SMILESc1ccc2c(c1)ccc1ccc(-c3cccc4oc5ccc(Nc6ccc7c(c6)oc6ccccc67)cc5c34)cc12
InChIInChI=1S/C38H23NO2/c1-2-7-28-23(6-1)12-13-24-14-15-25(20-32(24)28)29-9-5-11-36-38(29)33-21-26(17-19-35(33)40-36)39-27-16-18-31-30-8-3-4-10-34(30)41-37(31)22-27/h1-22,39H
InChIKeyIUMXMLGWRPOUTE-UHFFFAOYSA-N
MW525.61 g/mol
LogP11.20
Rot. Bonds3

About N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine

N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine (PubChem CID 169315832) has the molecular formula C38H23NO2 and a molecular weight of 525.61 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine
PubChem CID169315832
Molecular FormulaC38H23NO2
Molecular Weight525.61 g/mol
Exact Mass525.17
IUPAC NameN-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine
SMILESc1ccc2c(c1)ccc1ccc(-c3cccc4oc5ccc(Nc6ccc7c(c6)oc6ccccc67)cc5c34)cc12
InChIInChI=1S/C38H23NO2/c1-2-7-28-23(6-1)12-13-24-14-15-25(20-32(24)28)29-9-5-11-36-38(29)33-21-26(17-19-35(33)40-36)39-27-16-18-31-30-8-3-4-10-34(30)41-37(31)22-27/h1-22,39H
InChIKeyIUMXMLGWRPOUTE-UHFFFAOYSA-N
XLogP11.20
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 511.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran
CID 129100193
8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
CID 129100711
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742506
N-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-9-naphthalen-2-yldibenzofuran-2-amine
CID 176760069
2-[4-(8-phenanthren-3-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140946132
9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 172508788
N-dibenzofuran-2-yldibenzofuran-3-amine;ethane
CID 145077285
N-[3-[8-(3-fluorophenyl)naphthalen-1-yl]phenyl]dibenzofuran-2-amine
CID 171763443
2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 170926832
N,9-diphenyldibenzofuran-3-amine
CID 156790002
2-(9-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166743660
3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran
CID 118488750

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine (CID 169315832) is N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine is c1ccc2c(c1)ccc1ccc(-c3cccc4oc5ccc(Nc6ccc7c(c6)oc6ccccc67)cc5c34)cc12.
What is the InChIKey of N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine?
The InChIKey is IUMXMLGWRPOUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NO2/c1-2-7-28-23(6-1)12-13-24-14-15-25(20-32(24)28)29-9-5-11-36-38(29)33-21-26(17-19-35(33)40-36)39-27-16-18-31-30-8-3-4-10-34(30)41-37(31)22-27/h1-22,39H.
What are the key properties of N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine?
N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine has a molecular weight of 525.61 g/mol, XLogP of 11.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine is sourced from PubChem (CID 169315832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).