1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine

C98H64N2O2 — CID 156522847

IUPAC1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc(-c6ccc7c(-c8ccc9c(c8)oc8ccccc89)c(N(c8ccc(-c9ccccc9)cc8)c8cccc(-c9ccccc9)c8)ccc7c6)cc5)c4)c4ccc5ccccc5c4-c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C98H64N2O2/c1-4-18-65(19-5-1)68-34-36-69(37-35-68)71-44-53-82(54-45-71)99(91-58-49-74-24-10-11-29-85(74)97(91)79-47-56-89-87-30-12-14-32-93(87)101-95(89)63-79)84-28-17-26-76(62-84)72-38-40-73(41-39-72)77-46-55-86-78(60-77)50-59-92(98(86)80-48-57-90-88-31-13-15-33-94(88)102-96(90)64-80)100(81-51-42-70(43-52-81)66-20-6-2-7-21-66)83-27-16-25-75(61-83)67-22-8-3-9-23-67/h1-64H
InChIKeyQOBLRSPVRDALCI-UHFFFAOYSA-N
MW1301.60 g/mol
LogP28.07
Rot. Bonds14

About 1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine

1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 156522847) has the molecular formula C98H64N2O2 and a molecular weight of 1301.60 g/mol. Its IUPAC name is 1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID156522847
Molecular FormulaC98H64N2O2
Molecular Weight1301.60 g/mol
Exact Mass1300.50
IUPAC Name1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc(-c6ccc7c(-c8ccc9c(c8)oc8ccccc89)c(N(c8ccc(-c9ccccc9)cc8)c8cccc(-c9ccccc9)c8)ccc7c6)cc5)c4)c4ccc5ccccc5c4-c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C98H64N2O2/c1-4-18-65(19-5-1)68-34-36-69(37-35-68)71-44-53-82(54-45-71)99(91-58-49-74-24-10-11-29-85(74)97(91)79-47-56-89-87-30-12-14-32-93(87)101-95(89)63-79)84-28-17-26-76(62-84)72-38-40-73(41-39-72)77-46-55-86-78(60-77)50-59-92(98(86)80-48-57-90-88-31-13-15-33-94(88)102-96(90)64-80)100(81-51-42-70(43-52-81)66-20-6-2-7-21-66)83-27-16-25-75(61-83)67-22-8-3-9-23-67/h1-64H
InChIKeyQOBLRSPVRDALCI-UHFFFAOYSA-N
XLogP28.07
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001301.60
LogP ≤ 528.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
N-[4-(3,4-diphenylphenyl)phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177128275
2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170665632
N-(4-phenanthren-2-ylphenyl)-N-[3-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810721
N-(4-dibenzofuran-3-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738298
N-dibenzofuran-3-yl-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743078
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline
CID 167323705
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of 1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine (CID 156522847) is 1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for 1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for 1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc(-c6ccc7c(-c8ccc9c(c8)oc8ccccc89)c(N(c8ccc(-c9ccccc9)cc8)c8cccc(-c9ccccc9)c8)ccc7c6)cc5)c4)c4ccc5ccccc5c4-c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of 1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is QOBLRSPVRDALCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H64N2O2/c1-4-18-65(19-5-1)68-34-36-69(37-35-68)71-44-53-82(54-45-71)99(91-58-49-74-24-10-11-29-85(74)97(91)79-47-56-89-87-30-12-14-32-93(87)101-95(89)63-79)84-28-17-26-76(62-84)72-38-40-73(41-39-72)77-46-55-86-78(60-77)50-59-92(98(86)80-48-57-90-88-31-13-15-33-94(88)102-96(90)64-80)100(81-51-42-70(43-52-81)66-20-6-2-7-21-66)83-27-16-25-75(61-83)67-22-8-3-9-23-67/h1-64H.
What are the key properties of 1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?
1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 1301.60 g/mol, XLogP of 28.07, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 156522847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).