N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine

C52H33NO2 — CID 167397702

IUPACN-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3cccc4c3oc3c(N(c5cccc(-c6cccc7ccccc67)c5)c5ccc6c(c5)oc5ccccc56)cccc34)cc2)cc1
InChIInChI=1S/C52H33NO2/c1-2-12-34(13-3-1)35-26-28-37(29-27-35)43-21-10-22-46-47-23-11-24-48(52(47)55-51(43)46)53(40-30-31-45-44-19-6-7-25-49(44)54-50(45)33-40)39-17-8-16-38(32-39)42-20-9-15-36-14-4-5-18-41(36)42/h1-33H
InChIKeyWENAIFMRHNBWMI-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine

N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 167397702) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID167397702
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3cccc4c3oc3c(N(c5cccc(-c6cccc7ccccc67)c5)c5ccc6c(c5)oc5ccccc56)cccc34)cc2)cc1
InChIInChI=1S/C52H33NO2/c1-2-12-34(13-3-1)35-26-28-37(29-27-35)43-21-10-22-46-47-23-11-24-48(52(47)55-51(43)46)53(40-30-31-45-44-19-6-7-25-49(44)54-50(45)33-40)39-17-8-16-38(32-39)42-20-9-15-36-14-4-5-18-41(36)42/h1-33H
InChIKeyWENAIFMRHNBWMI-UHFFFAOYSA-N
XLogP15.11
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.84
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-3-yl-6-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167396499
N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine
CID 167397866
N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396874
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168803987
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine;N-[4-[3-(8-phenylnaphthalen-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 159271022
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;3-(6-phenyldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 160949649
N-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 148657680
N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 172503073
N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;3-(6-phenyldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline
CID 160941283
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170535179
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804045
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]naphthalen-1-amine;N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 160742850

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine (CID 167397702) is N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(-c3cccc4c3oc3c(N(c5cccc(-c6cccc7ccccc67)c5)c5ccc6c(c5)oc5ccccc56)cccc34)cc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is WENAIFMRHNBWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-2-12-34(13-3-1)35-26-28-37(29-27-35)43-21-10-22-46-47-23-11-24-48(52(47)55-51(43)46)53(40-30-31-45-44-19-6-7-25-49(44)54-50(45)33-40)39-17-8-16-38(32-39)42-20-9-15-36-14-4-5-18-41(36)42/h1-33H.
What are the key properties of N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine?
N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 703.84 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 167397702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).