N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine

C52H33NO2 — CID 168805257

IUPACN-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3oc4c(N(c5ccc(-c6ccc7oc8c(-c9ccccc9)cccc8c7c6)cc5)c5cccc6ccccc56)cccc4c3c2)cc1
InChIInChI=1S/C52H33NO2/c1-3-12-34(13-4-1)38-26-31-50-46(32-38)44-21-11-23-48(52(44)55-50)53(47-22-9-17-36-16-7-8-18-41(36)47)40-28-24-35(25-29-40)39-27-30-49-45(33-39)43-20-10-19-42(51(43)54-49)37-14-5-2-6-15-37/h1-33H
InChIKeyCMRGSHWGBRIVON-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine

N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine (PubChem CID 168805257) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
PubChem CID168805257
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3oc4c(N(c5ccc(-c6ccc7oc8c(-c9ccccc9)cccc8c7c6)cc5)c5cccc6ccccc56)cccc4c3c2)cc1
InChIInChI=1S/C52H33NO2/c1-3-12-34(13-4-1)38-26-31-50-46(32-38)44-21-11-23-48(52(44)55-50)53(47-22-9-17-36-16-7-8-18-41(36)47)40-28-24-35(25-29-40)39-27-30-49-45(33-39)43-20-10-19-42(51(43)54-49)37-14-5-2-6-15-37/h1-33H
InChIKeyCMRGSHWGBRIVON-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-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 158645308
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine
CID 168805250
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168805415
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396678
4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157429192
4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 162213494
N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 164832167
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
4-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804844
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
N-(3,5-diphenylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168804923

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine (CID 168805257) is N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine is c1ccc(-c2ccc3oc4c(N(c5ccc(-c6ccc7oc8c(-c9ccccc9)cccc8c7c6)cc5)c5cccc6ccccc56)cccc4c3c2)cc1.
What is the InChIKey of N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine?
The InChIKey is CMRGSHWGBRIVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-3-12-34(13-4-1)38-26-31-50-46(32-38)44-21-11-23-48(52(44)55-50)53(47-22-9-17-36-16-7-8-18-41(36)47)40-28-24-35(25-29-40)39-27-30-49-45(33-39)43-20-10-19-42(51(43)54-49)37-14-5-2-6-15-37/h1-33H.
What are the key properties of N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine?
N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]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-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 168805257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).