N-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine

C44H27NO2 — CID 155303746

IUPACN-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2c(N(c3cccc4c3oc3ccccc34)c3cccc4oc5ccccc5c34)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C44H27NO2/c1-2-14-28(15-3-1)41-32-19-6-4-16-29(32)30-17-5-7-20-33(30)43(41)45(36-23-13-27-40-42(36)35-21-9-11-26-39(35)46-40)37-24-12-22-34-31-18-8-10-25-38(31)47-44(34)37/h1-27H
InChIKeyNAJAJKAGTKZIKW-UHFFFAOYSA-N
MW601.71 g/mol
LogP12.93
Rot. Bonds4

About N-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine

N-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine (PubChem CID 155303746) has the molecular formula C44H27NO2 and a molecular weight of 601.71 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine
PubChem CID155303746
Molecular FormulaC44H27NO2
Molecular Weight601.71 g/mol
Exact Mass601.20
IUPAC NameN-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2c(N(c3cccc4c3oc3ccccc34)c3cccc4oc5ccccc5c34)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C44H27NO2/c1-2-14-28(15-3-1)41-32-19-6-4-16-29(32)30-17-5-7-20-33(30)43(41)45(36-23-13-27-40-42(36)35-21-9-11-26-39(35)46-40)37-24-12-22-34-31-18-8-10-25-38(31)47-44(34)37/h1-27H
InChIKeyNAJAJKAGTKZIKW-UHFFFAOYSA-N
XLogP12.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 512.93
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-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 155304327
N-dibenzothiophen-4-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine
CID 155304303
N-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine
CID 155304231
N-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine
CID 155304502
N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739196
N-[10-[3-[4-[4-[4-[4-[dibenzofuran-3-yl-[2-[3-[3-[dibenzofuran-4-yl-(10-phenylphenanthren-9-yl)amino]-5-phenylphenyl]phenyl]-10-phenylphenanthren-9-yl]amino]phenyl]phenyl]phenyl]phenyl]phenyl]phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 155305128
N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397482
N-(2-dibenzofuran-4-ylphenyl)-N-[10-(3-phenylphenyl)phenanthren-9-yl]dibenzofuran-3-amine
CID 155304392
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652
N-(3-dibenzofuran-4-ylphenyl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine
CID 155304965
N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine
CID 155303419
N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 158923776

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine (CID 155303746) is N-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine is c1ccc(-c2c(N(c3cccc4c3oc3ccccc34)c3cccc4oc5ccccc5c34)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine?
The InChIKey is NAJAJKAGTKZIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO2/c1-2-14-28(15-3-1)41-32-19-6-4-16-29(32)30-17-5-7-20-33(30)43(41)45(36-23-13-27-40-42(36)35-21-9-11-26-39(35)46-40)37-24-12-22-34-31-18-8-10-25-38(31)47-44(34)37/h1-27H.
What are the key properties of N-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine?
N-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine has a molecular weight of 601.71 g/mol, XLogP of 12.93, 4 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-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine is sourced from PubChem (CID 155303746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).