N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine

C62H39NO2 — CID 176821320

IUPACN-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6oc7c(-c8ccccc8)cccc7c56)cc4)c4ccc5ccc6ccccc6c5c4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C62H39NO2/c1-3-13-40(14-4-1)41-25-27-45(28-26-41)52-37-38-56(60-53-19-9-10-23-57(53)64-62(52)60)63(48-36-33-46-30-29-43-17-7-8-18-49(43)55(46)39-48)47-34-31-44(32-35-47)50-20-12-24-58-59(50)54-22-11-21-51(61(54)65-58)42-15-5-2-6-16-42/h1-39H
InChIKeyUKLSYYIPEMFJTI-UHFFFAOYSA-N
MW830.00 g/mol
LogP17.93
Rot. Bonds7

About N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine

N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 176821320) has the molecular formula C62H39NO2 and a molecular weight of 830.00 g/mol. Its IUPAC name is N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID176821320
Molecular FormulaC62H39NO2
Molecular Weight830.00 g/mol
Exact Mass829.30
IUPAC NameN-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6oc7c(-c8ccccc8)cccc7c56)cc4)c4ccc5ccc6ccccc6c5c4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C62H39NO2/c1-3-13-40(14-4-1)41-25-27-45(28-26-41)52-37-38-56(60-53-19-9-10-23-57(53)64-62(52)60)63(48-36-33-46-30-29-43-17-7-8-18-49(43)55(46)39-48)47-34-31-44(32-35-47)50-20-12-24-58-59(50)54-22-11-21-51(61(54)65-58)42-15-5-2-6-16-42/h1-39H
InChIKeyUKLSYYIPEMFJTI-UHFFFAOYSA-N
XLogP17.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.00
LogP ≤ 517.93
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-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821403
N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 176820694
N-phenanthren-3-yl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820620
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820785
N-(4-dibenzothiophen-1-ylphenyl)-N-phenanthren-3-yl-4-phenyldibenzofuran-1-amine
CID 176820910
4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine
CID 176820935
N-phenanthren-3-yl-1-(4-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 176820600
N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine
CID 176821213
N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820562
N-phenanthren-3-yl-N-(4-phenanthren-1-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 168809808
N-phenanthren-2-yl-N-(3-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821033
N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821323

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine (CID 176821320) is N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6oc7c(-c8ccccc8)cccc7c56)cc4)c4ccc5ccc6ccccc6c5c4)c4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is UKLSYYIPEMFJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO2/c1-3-13-40(14-4-1)41-25-27-45(28-26-41)52-37-38-56(60-53-19-9-10-23-57(53)64-62(52)60)63(48-36-33-46-30-29-43-17-7-8-18-49(43)55(46)39-48)47-34-31-44(32-35-47)50-20-12-24-58-59(50)54-22-11-21-51(61(54)65-58)42-15-5-2-6-16-42/h1-39H.
What are the key properties of N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine?
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 830.00 g/mol, XLogP of 17.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176821320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).