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

C60H37NO3 — CID 170536120

IUPACN-[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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(oc6ccc7oc8ccccc8c7c65)c4-c4cccc5c4oc4ccccc45)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)46-34-35-51-58-55(37-36-54-57(58)49-17-8-10-21-53(49)62-54)64-60(51)56(46)50-19-11-18-48-47-16-7-9-20-52(47)63-59(48)50/h1-37H
InChIKeyQMSTUPHJELFWAB-UHFFFAOYSA-N
MW819.96 g/mol
LogP17.52
Rot. Bonds7

About 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

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 (PubChem CID 170536120) has the molecular formula C60H37NO3 and a molecular weight of 819.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID170536120
Molecular FormulaC60H37NO3
Molecular Weight819.96 g/mol
Exact Mass819.28
IUPAC NameN-[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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(oc6ccc7oc8ccccc8c7c65)c4-c4cccc5c4oc4ccccc45)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)46-34-35-51-58-55(37-36-54-57(58)49-17-8-10-21-53(49)62-54)64-60(51)56(46)50-19-11-18-48-47-16-7-9-20-52(47)63-59(48)50/h1-37H
InChIKeyQMSTUPHJELFWAB-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-(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 with MolForge

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Related Compounds

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
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-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline
CID 135277346
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
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
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
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
6-phenyl-N,N-bis(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-amine
CID 170535880
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168805047
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808580
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(oc6ccc7oc8ccccc8c7c65)c4-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is QMSTUPHJELFWAB-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)46-34-35-51-58-55(37-36-54-57(58)49-17-8-10-21-53(49)62-54)64-60(51)56(46)50-19-11-18-48-47-16-7-9-20-52(47)63-59(48)50/h1-37H.
What are the key properties of 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?
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 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-(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 is sourced from PubChem (CID 170536120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).