N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine

C46H31NO — CID 169302116

IUPACN-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3c(-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C46H31NO/c1-3-10-32(11-4-1)34-20-24-39(25-21-34)47(40-26-22-35(23-27-40)38-19-18-33-12-7-8-15-37(33)30-38)41-28-29-43-44-17-9-16-42(36-13-5-2-6-14-36)46(44)48-45(43)31-41/h1-31H
InChIKeyZOQSAMDHXVMDFR-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

About N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine

N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 169302116) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID169302116
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC NameN-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3c(-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C46H31NO/c1-3-10-32(11-4-1)34-20-24-39(25-21-34)47(40-26-22-35(23-27-40)38-19-18-33-12-7-8-15-37(33)30-38)41-28-29-43-44-17-9-16-42(36-13-5-2-6-14-36)46(44)48-45(43)31-41/h1-31H
InChIKeyZOQSAMDHXVMDFR-UHFFFAOYSA-N
XLogP13.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-phenyldibenzofuran-3-amine
CID 169302169
N-naphthalen-2-yl-18-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050338
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 169302137
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374400
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167358323
N-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 166589738
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 162770461
N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396874

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 169302116) is N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3c(-c5ccccc5)cccc34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is ZOQSAMDHXVMDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-3-10-32(11-4-1)34-20-24-39(25-21-34)47(40-26-22-35(23-27-40)38-19-18-33-12-7-8-15-37(33)30-38)41-28-29-43-44-17-9-16-42(36-13-5-2-6-14-36)46(44)48-45(43)31-41/h1-31H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 613.76 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 169302116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).