N-[4-(6-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C60H37NO3 — CID 170535903

IUPACN-[4-(6-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c(-c5cccc6c5oc5ccccc56)ccc5c4oc4ccc6oc7ccccc7c6c45)cc3)cc2)cc1
InChIInChI=1S/C60H37NO3/c1-3-12-38(13-4-1)40-22-28-43(29-23-40)61(44-30-24-41(25-31-44)39-14-5-2-6-15-39)45-32-26-42(27-33-45)56-47(49-19-11-18-48-46-16-7-9-20-52(46)63-59(48)49)34-35-51-58-55(64-60(51)56)37-36-54-57(58)50-17-8-10-21-53(50)62-54/h1-37H
InChIKeyFEIJLCFODSIXLR-UHFFFAOYSA-N
MW819.96 g/mol
LogP17.52
Rot. Bonds7

About N-[4-(6-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(6-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 170535903) has the molecular formula C60H37NO3 and a molecular weight of 819.96 g/mol. Its IUPAC name is N-[4-(6-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(6-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID170535903
Molecular FormulaC60H37NO3
Molecular Weight819.96 g/mol
Exact Mass819.28
IUPAC NameN-[4-(6-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c(-c5cccc6c5oc5ccccc56)ccc5c4oc4ccc6oc7ccccc7c6c45)cc3)cc2)cc1
InChIInChI=1S/C60H37NO3/c1-3-12-38(13-4-1)40-22-28-43(29-23-40)61(44-30-24-41(25-31-44)39-14-5-2-6-15-39)45-32-26-42(27-33-45)56-47(49-19-11-18-48-46-16-7-9-20-52(46)63-59(48)49)34-35-51-58-55(64-60(51)56)37-36-54-57(58)50-17-8-10-21-53(50)62-54/h1-37H
InChIKeyFEIJLCFODSIXLR-UHFFFAOYSA-N
XLogP17.52
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.96
LogP ≤ 517.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(6-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-[4-(7-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170536120
N,N-diphenyl-4-[6-(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl]aniline
CID 170535971
4-[4-(6-naphthalen-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-N,N-diphenylaniline
CID 170535954
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline
CID 135277346
4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 138481521
4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline
CID 169064163
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447918
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine;N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline;N-phenyl-N,4-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 160729706
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(6-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 170535903) is N-[4-(6-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(6-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(6-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c(-c5cccc6c5oc5ccccc56)ccc5c4oc4ccc6oc7ccccc7c6c45)cc3)cc2)cc1.
What is the InChIKey of N-[4-(6-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is FEIJLCFODSIXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO3/c1-3-12-38(13-4-1)40-22-28-43(29-23-40)61(44-30-24-41(25-31-44)39-14-5-2-6-15-39)45-32-26-42(27-33-45)56-47(49-19-11-18-48-46-16-7-9-20-52(46)63-59(48)49)34-35-51-58-55(64-60(51)56)37-36-54-57(58)50-17-8-10-21-53(50)62-54/h1-37H.
What are the key properties of N-[4-(6-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(6-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 819.96 g/mol, XLogP of 17.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-dibenzofuran-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170535903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).