N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine

C38H23NO2 — CID 155305684

IUPACN-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine
SMILESc1ccc2c(c1)cc(N(c1ccc3oc4ccccc4c3c1)c1cccc3oc4ccccc4c13)c1ccccc12
InChIInChI=1S/C38H23NO2/c1-2-11-26-24(10-1)22-33(28-13-4-3-12-27(26)28)39(25-20-21-36-31(23-25)29-14-5-7-17-34(29)40-36)32-16-9-19-37-38(32)30-15-6-8-18-35(30)41-37/h1-23H
InChIKeyXKRFWSFEYQMXDA-UHFFFAOYSA-N
MW525.61 g/mol
LogP11.26
Rot. Bonds3

About N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine

N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine (PubChem CID 155305684) has the molecular formula C38H23NO2 and a molecular weight of 525.61 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine
PubChem CID155305684
Molecular FormulaC38H23NO2
Molecular Weight525.61 g/mol
Exact Mass525.17
IUPAC NameN-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine
SMILESc1ccc2c(c1)cc(N(c1ccc3oc4ccccc4c3c1)c1cccc3oc4ccccc4c13)c1ccccc12
InChIInChI=1S/C38H23NO2/c1-2-11-26-24(10-1)22-33(28-13-4-3-12-27(26)28)39(25-20-21-36-31(23-25)29-14-5-7-17-34(29)40-36)32-16-9-19-37-38(32)30-15-6-8-18-35(30)41-37/h1-23H
InChIKeyXKRFWSFEYQMXDA-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-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405743
N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 121325451
N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804116
6-benzhydryl-N-dibenzofuran-2-yl-N-phenanthren-9-yldibenzofuran-1-amine
CID 163975167
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
CID 167324318
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine
CID 170410722
N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 121325423
N-dibenzofuran-3-yl-N-phenanthren-1-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779480
3-N-dibenzofuran-2-yl-10-N-naphthalen-1-yl-10-N-(4-naphthalen-1-ylphenyl)-3-N-phenylphenanthrene-3,10-diamine
CID 170283773
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine
CID 170284135

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine (CID 155305684) is N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine is c1ccc2c(c1)cc(N(c1ccc3oc4ccccc4c3c1)c1cccc3oc4ccccc4c13)c1ccccc12.
What is the InChIKey of N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine?
The InChIKey is XKRFWSFEYQMXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NO2/c1-2-11-26-24(10-1)22-33(28-13-4-3-12-27(26)28)39(25-20-21-36-31(23-25)29-14-5-7-17-34(29)40-36)32-16-9-19-37-38(32)30-15-6-8-18-35(30)41-37/h1-23H.
What are the key properties of N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine?
N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-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-9-yldibenzofuran-2-amine is sourced from PubChem (CID 155305684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).