N-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

C69H45NO3 — CID 167352723

IUPACN-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4oc(-c5ccccc5)c5c4C(c4ccccc4)(c4ccccc4)c4c(-c6ccccc6)oc(-c6ccccc6)c4-5)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C69H45NO3/c1-7-22-46(23-8-1)47-38-40-54(41-39-47)70(56-42-43-58-57-36-19-20-37-59(57)71-60(58)45-56)55-35-21-30-51(44-55)68-64-62(66(73-68)49-26-11-3-12-27-49)61-63(69(64,52-31-15-5-16-32-52)53-33-17-6-18-34-53)67(50-28-13-4-14-29-50)72-65(61)48-24-9-2-10-25-48/h1-45H
InChIKeyCEFBAHRSLFXVOA-UHFFFAOYSA-N
MW936.12 g/mol
LogP18.94
Rot. Bonds10

About N-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

N-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 167352723) has the molecular formula C69H45NO3 and a molecular weight of 936.12 g/mol. Its IUPAC name is N-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID167352723
Molecular FormulaC69H45NO3
Molecular Weight936.12 g/mol
Exact Mass935.34
IUPAC NameN-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4oc(-c5ccccc5)c5c4C(c4ccccc4)(c4ccccc4)c4c(-c6ccccc6)oc(-c6ccccc6)c4-5)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C69H45NO3/c1-7-22-46(23-8-1)47-38-40-54(41-39-47)70(56-42-43-58-57-36-19-20-37-59(57)71-60(58)45-56)55-35-21-30-51(44-55)68-64-62(66(73-68)49-26-11-3-12-27-49)61-63(69(64,52-31-15-5-16-32-52)53-33-17-6-18-34-53)67(50-28-13-4-14-29-50)72-65(61)48-24-9-2-10-25-48/h1-45H
InChIKeyCEFBAHRSLFXVOA-UHFFFAOYSA-N
XLogP18.94
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.12
LogP ≤ 518.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-3'-[3-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]-1'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,4'-indeno[1,2-c]furan]-6'-amine
CID 171053564
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,3-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161375277
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 167352723) is N-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3cccc(-c4oc(-c5ccccc5)c5c4C(c4ccccc4)(c4ccccc4)c4c(-c6ccccc6)oc(-c6ccccc6)c4-5)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is CEFBAHRSLFXVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45NO3/c1-7-22-46(23-8-1)47-38-40-54(41-39-47)70(56-42-43-58-57-36-19-20-37-59(57)71-60(58)45-56)55-35-21-30-51(44-55)68-64-62(66(73-68)49-26-11-3-12-27-49)61-63(69(64,52-31-15-5-16-32-52)53-33-17-6-18-34-53)67(50-28-13-4-14-29-50)72-65(61)48-24-9-2-10-25-48/h1-45H.
What are the key properties of N-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 936.12 g/mol, XLogP of 18.94, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,7,7,9,11-pentakis-phenyl-4,10-dioxatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 167352723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).