N-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine

C71H48N2O2 — CID 118633745

IUPACN-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine
SMILESCC1(C)c2cc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)ccc2-c2c(-c3ccccc3)c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3c3cccc1c23
InChIInChI=1S/C71H48N2O2/c1-71(2)60-30-16-27-54-59-44-51(73(49-23-10-5-11-24-49)63-32-18-29-57-53-26-13-15-34-65(53)75-70(57)63)40-42-55(59)66(46-19-6-3-7-20-46)68(67(54)60)58-41-37-47(43-61(58)71)45-35-38-50(39-36-45)72(48-21-8-4-9-22-48)62-31-17-28-56-52-25-12-14-33-64(52)74-69(56)62/h3-44H,1-2H3
InChIKeyNEGKXHXWJSKSLM-UHFFFAOYSA-N
MW961.18 g/mol
LogP20.37
Rot. Bonds8

About N-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine

N-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 118633745) has the molecular formula C71H48N2O2 and a molecular weight of 961.18 g/mol. Its IUPAC name is N-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine
PubChem CID118633745
Molecular FormulaC71H48N2O2
Molecular Weight961.18 g/mol
Exact Mass960.37
IUPAC NameN-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine
SMILESCC1(C)c2cc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)ccc2-c2c(-c3ccccc3)c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3c3cccc1c23
InChIInChI=1S/C71H48N2O2/c1-71(2)60-30-16-27-54-59-44-51(73(49-23-10-5-11-24-49)63-32-18-29-57-53-26-13-15-34-65(53)75-70(57)63)40-42-55(59)66(46-19-6-3-7-20-46)68(67(54)60)58-41-37-47(43-61(58)71)45-35-38-50(39-36-45)72(48-21-8-4-9-22-48)62-31-17-28-56-52-25-12-14-33-64(52)74-69(56)62/h3-44H,1-2H3
InChIKeyNEGKXHXWJSKSLM-UHFFFAOYSA-N
XLogP20.37
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.18
LogP ≤ 520.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine with MolForge

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Related Compounds

N-phenyl-N-[4-[8,8,20-trimethyl-16-(N-phenylanilino)-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]dibenzofuran-4-amine
CID 118633637
5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633662
16-N-dibenzofuran-4-yl-8,8-dimethyl-5-N-(4-methylphenyl)-5-N,20-diphenyl-16-N-(4-propan-2-ylsulfanylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118639413
5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N,20-triphenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633670
5-N-dibenzofuran-4-yl-8,8,20-trimethyl-5-N,16-N,16-N-triphenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633640
N-[9,9-dimethyl-5-(2-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138724001
5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633607
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675
16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633625
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-triphenylen-2-yldibenzofuran-4-amine
CID 160951573
N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134453745
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652

Frequently Asked Questions

What is the IUPAC name of N-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine?
The IUPAC name of N-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine (CID 118633745) is N-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine?
The canonical SMILES for N-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine is CC1(C)c2cc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)ccc2-c2c(-c3ccccc3)c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3c3cccc1c23.
What is the InChIKey of N-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine?
The InChIKey is NEGKXHXWJSKSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H48N2O2/c1-71(2)60-30-16-27-54-59-44-51(73(49-23-10-5-11-24-49)63-32-18-29-57-53-26-13-15-34-65(53)75-70(57)63)40-42-55(59)66(46-19-6-3-7-20-46)68(67(54)60)58-41-37-47(43-61(58)71)45-35-38-50(39-36-45)72(48-21-8-4-9-22-48)62-31-17-28-56-52-25-12-14-33-64(52)74-69(56)62/h3-44H,1-2H3.
What are the key properties of N-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine?
N-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine has a molecular weight of 961.18 g/mol, XLogP of 20.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 118633745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).