N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine

C44H29NO — CID 176820432

IUPACN-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3ccc3ccccc34)c3ccc(-c4ccccc4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-3-12-30(13-4-1)31-22-25-34(26-23-31)45(40-20-11-19-37-35-17-8-7-16-33(35)24-27-38(37)40)41-29-28-36(32-14-5-2-6-15-32)44-43(41)39-18-9-10-21-42(39)46-44/h1-29H
InChIKeyQRXNWIMEOZEKAA-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine

N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 176820432) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID176820432
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3ccc3ccccc34)c3ccc(-c4ccccc4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-3-12-30(13-4-1)31-22-25-34(26-23-31)45(40-20-11-19-37-35-17-8-7-16-33(35)24-27-38(37)40)41-29-28-36(32-14-5-2-6-15-32)44-43(41)39-18-9-10-21-42(39)46-44/h1-29H
InChIKeyQRXNWIMEOZEKAA-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.70
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

N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176820885
N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821447
N-phenanthren-1-yl-N-(6-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820912
N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821060
N-(2,5-diphenylphenyl)-N-phenanthren-1-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820901
N-phenanthren-2-yl-N-phenanthren-9-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820506
N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820707
N-phenanthren-2-yl-N-phenanthren-4-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821172
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810
N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine
CID 176820953
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-4-yl-4-phenyldibenzofuran-1-amine
CID 176821420
N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820562

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 176820432) is N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3cccc4c3ccc3ccccc34)c3ccc(-c4ccccc4)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is QRXNWIMEOZEKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-3-12-30(13-4-1)31-22-25-34(26-23-31)45(40-20-11-19-37-35-17-8-7-16-33(35)24-27-38(37)40)41-29-28-36(32-14-5-2-6-15-32)44-43(41)39-18-9-10-21-42(39)46-44/h1-29H.
What are the key properties of N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 587.72 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176820432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).