N-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine

C60H37NO2 — CID 176821436

IUPACN-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3c2oc2cccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc(-c5ccc(-c6ccccc6)c6oc7ccccc7c56)c5ccccc45)c23)cc1
InChIInChI=1S/C60H37NO2/c1-3-15-38(16-4-1)45-24-13-25-52-58-54(26-14-28-56(58)63-59(45)52)61(42-31-32-44-41(37-42)30-29-40-19-7-8-20-43(40)44)53-36-35-48(47-21-9-10-22-49(47)53)50-34-33-46(39-17-5-2-6-18-39)60-57(50)51-23-11-12-27-55(51)62-60/h1-37H
InChIKeyIPRKOLKFHUCOON-UHFFFAOYSA-N
MW803.96 g/mol
LogP17.42
Rot. Bonds6

About N-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine

N-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine (PubChem CID 176821436) has the molecular formula C60H37NO2 and a molecular weight of 803.96 g/mol. Its IUPAC name is N-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine
PubChem CID176821436
Molecular FormulaC60H37NO2
Molecular Weight803.96 g/mol
Exact Mass803.28
IUPAC NameN-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3c2oc2cccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc(-c5ccc(-c6ccccc6)c6oc7ccccc7c56)c5ccccc45)c23)cc1
InChIInChI=1S/C60H37NO2/c1-3-15-38(16-4-1)45-24-13-25-52-58-54(26-14-28-56(58)63-59(45)52)61(42-31-32-44-41(37-42)30-29-40-19-7-8-20-43(40)44)53-36-35-48(47-21-9-10-22-49(47)53)50-34-33-46(39-17-5-2-6-18-39)60-57(50)51-23-11-12-27-55(51)62-60/h1-37H
InChIKeyIPRKOLKFHUCOON-UHFFFAOYSA-N
XLogP17.42
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.96
LogP ≤ 517.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-phenanthren-2-yl-N-phenanthren-4-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821172
N-phenanthren-1-yl-N-(6-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820912
N-phenanthren-2-yl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine
CID 176820936
N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821447
4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820677
N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821323
N-phenanthren-2-yl-N-phenanthren-9-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820506
N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820562
N-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 169007480
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820785

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine?
The IUPAC name of N-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine (CID 176821436) is N-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine.
What is the SMILES notation for N-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine?
The canonical SMILES for N-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine is c1ccc(-c2cccc3c2oc2cccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc(-c5ccc(-c6ccccc6)c6oc7ccccc7c56)c5ccccc45)c23)cc1.
What is the InChIKey of N-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine?
The InChIKey is IPRKOLKFHUCOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO2/c1-3-15-38(16-4-1)45-24-13-25-52-58-54(26-14-28-56(58)63-59(45)52)61(42-31-32-44-41(37-42)30-29-40-19-7-8-20-43(40)44)53-36-35-48(47-21-9-10-22-49(47)53)50-34-33-46(39-17-5-2-6-18-39)60-57(50)51-23-11-12-27-55(51)62-60/h1-37H.
What are the key properties of N-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine?
N-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine has a molecular weight of 803.96 g/mol, XLogP of 17.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine is sourced from PubChem (CID 176821436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).