N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine

C60H39NO — CID 170399855

IUPACN-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2cc3ccccc3o2)c(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4cc5ccccc5c5ccccc45)cc3)cc2)c1
InChIInChI=1S/C60H39NO/c1-4-14-51-43(11-1)25-26-47-37-45(31-36-54(47)51)42-29-34-50(35-30-42)61(58-38-46-12-2-5-16-53(46)55-17-7-8-18-56(55)58)49-32-27-41(28-33-49)40-21-23-44(24-22-40)52-15-6-9-19-57(52)60-39-48-13-3-10-20-59(48)62-60/h1-39H
InChIKeyKGAZCCVTFNOINO-UHFFFAOYSA-N
MW789.98 g/mol
LogP17.18
Rot. Bonds7

About N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine

N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine (PubChem CID 170399855) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine
PubChem CID170399855
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC NameN-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2cc3ccccc3o2)c(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4cc5ccccc5c5ccccc45)cc3)cc2)c1
InChIInChI=1S/C60H39NO/c1-4-14-51-43(11-1)25-26-47-37-45(31-36-54(47)51)42-29-34-50(35-30-42)61(58-38-46-12-2-5-16-53(46)55-17-7-8-18-56(55)58)49-32-27-41(28-33-49)40-21-23-44(24-22-40)52-15-6-9-19-57(52)60-39-48-13-3-10-20-59(48)62-60/h1-39H
InChIKeyKGAZCCVTFNOINO-UHFFFAOYSA-N
XLogP17.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 517.18
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-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-9-amine
CID 170398479
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)naphthalen-1-amine
CID 170399846
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenanthren-2-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 170526127
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine
CID 170526424
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 170399851
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-ylaniline
CID 170526349
4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
CID 170399789
N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine
CID 170400134
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 170399727
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 170398318
N-[2-(1-benzofuran-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 170398985
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 170398386

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine?
The IUPAC name of N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine (CID 170399855) is N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine?
The canonical SMILES for N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine is c1ccc(-c2cc3ccccc3o2)c(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4cc5ccccc5c5ccccc45)cc3)cc2)c1.
What is the InChIKey of N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine?
The InChIKey is KGAZCCVTFNOINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-4-14-51-43(11-1)25-26-47-37-45(31-36-54(47)51)42-29-34-50(35-30-42)61(58-38-46-12-2-5-16-53(46)55-17-7-8-18-56(55)58)49-32-27-41(28-33-49)40-21-23-44(24-22-40)52-15-6-9-19-57(52)60-39-48-13-3-10-20-59(48)62-60/h1-39H.
What are the key properties of N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine?
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine has a molecular weight of 789.98 g/mol, XLogP of 17.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-9-amine is sourced from PubChem (CID 170399855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).