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

C60H37NO2 — CID 170134082

IUPACN-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine
SMILESc1ccc2c(-c3cccc4c3oc3ccccc34)c(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc5ccccc5c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C60H37NO2/c1-4-16-45-38(13-1)31-36-46(58(45)54-24-12-23-53-51-20-8-10-26-57(51)63-60(53)54)39-27-32-42(33-28-39)61(55-37-41-14-2-3-15-44(41)48-17-5-6-18-49(48)55)43-34-29-40(30-35-43)47-21-11-22-52-50-19-7-9-25-56(50)62-59(47)52/h1-37H
InChIKeyLRIDJNWWUUEVBC-UHFFFAOYSA-N
MW803.96 g/mol
LogP17.42
Rot. Bonds6

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

N-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine (PubChem CID 170134082) has the molecular formula C60H37NO2 and a molecular weight of 803.96 g/mol. Its IUPAC name is N-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine
PubChem CID170134082
Molecular FormulaC60H37NO2
Molecular Weight803.96 g/mol
Exact Mass803.28
IUPAC NameN-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine
SMILESc1ccc2c(-c3cccc4c3oc3ccccc34)c(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc5ccccc5c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C60H37NO2/c1-4-16-45-38(13-1)31-36-46(58(45)54-24-12-23-53-51-20-8-10-26-57(51)63-60(53)54)39-27-32-42(33-28-39)61(55-37-41-14-2-3-15-44(41)48-17-5-6-18-49(48)55)43-34-29-40(30-35-43)47-21-11-22-52-50-19-7-9-25-56(50)62-59(47)52/h1-37H
InChIKeyLRIDJNWWUUEVBC-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'}

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Related Compounds

N-[4-(2-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenanthren-9-amine
CID 170133970
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134121
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-9-amine
CID 155119875
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134327
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134332
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-3-amine
CID 167277546
N-(4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenanthren-9-amine
CID 162481227
6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296238
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine
CID 170134279
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167412293
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
CID 170134223
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134182

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine?
The IUPAC name of N-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine (CID 170134082) is N-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine?
The canonical SMILES for N-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine is c1ccc2c(-c3cccc4c3oc3ccccc34)c(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc5ccccc5c5ccccc45)cc3)ccc2c1.
What is the InChIKey of N-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine?
The InChIKey is LRIDJNWWUUEVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO2/c1-4-16-45-38(13-1)31-36-46(58(45)54-24-12-23-53-51-20-8-10-26-57(51)63-60(53)54)39-27-32-42(33-28-39)61(55-37-41-14-2-3-15-44(41)48-17-5-6-18-49(48)55)43-34-29-40(30-35-43)47-21-11-22-52-50-19-7-9-25-56(50)62-59(47)52/h1-37H.
What are the key properties of N-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine?
N-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-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-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine is sourced from PubChem (CID 170134082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).