9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

C69H44N2O2 — CID 90140171

IUPAC9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)c4ccccc24)C3(c2ccccc2)c2ccccc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C69H44N2O2/c1-5-23-45(24-6-1)69(46-25-7-2-8-26-46)55-43-59(70(47-27-9-3-10-28-47)57-37-21-41-63-67(57)53-35-17-19-39-61(53)72-63)49-31-13-15-33-51(49)65(55)66-52-34-16-14-32-50(52)60(44-56(66)69)71(48-29-11-4-12-30-48)58-38-22-42-64-68(58)54-36-18-20-40-62(54)73-64/h1-44H
InChIKeyCLAUVKGTRDQIOG-UHFFFAOYSA-N
MW933.12 g/mol
LogP19.09
Rot. Bonds8

About 9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (PubChem CID 90140171) has the molecular formula C69H44N2O2 and a molecular weight of 933.12 g/mol. Its IUPAC name is 9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.

Molecular Properties

Compound Name9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
PubChem CID90140171
Molecular FormulaC69H44N2O2
Molecular Weight933.12 g/mol
Exact Mass932.34
IUPAC Name9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)c4ccccc24)C3(c2ccccc2)c2ccccc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C69H44N2O2/c1-5-23-45(24-6-1)69(46-25-7-2-8-26-46)55-43-59(70(47-27-9-3-10-28-47)57-37-21-41-63-67(57)53-35-17-19-39-61(53)72-63)49-31-13-15-33-51(49)65(55)66-52-34-16-14-32-50(52)60(44-56(66)69)71(48-29-11-4-12-30-48)58-38-22-42-64-68(58)54-36-18-20-40-62(54)73-64/h1-44H
InChIKeyCLAUVKGTRDQIOG-UHFFFAOYSA-N
XLogP19.09
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.12
LogP ≤ 519.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine with MolForge

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Related Compounds

N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzofuran-1-amine
CID 140962533
5-N,22-N-di(dibenzofuran-1-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-2-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-3-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 160555614
1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine
CID 155096765
9-N,15-N-di(dibenzofuran-4-yl)-12,12-diphenyl-9-N,15-N-bis(3,4,5-trimethylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140037
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312684
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 152916526
9-N,15-N-bis(4-cyclohexylphenyl)-9-N,15-N-di(dibenzofuran-3-yl)-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140162
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 172544755
5-N-dibenzofuran-1-yl-7,7-dimethyl-9-N-(3-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 90128722
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 126701110
N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301528
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312683

Frequently Asked Questions

What is the IUPAC name of 9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The IUPAC name of 9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (CID 90140171) is 9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.
What is the SMILES notation for 9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The canonical SMILES for 9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is c1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)c4ccccc24)C3(c2ccccc2)c2ccccc2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The InChIKey is CLAUVKGTRDQIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N2O2/c1-5-23-45(24-6-1)69(46-25-7-2-8-26-46)55-43-59(70(47-27-9-3-10-28-47)57-37-21-41-63-67(57)53-35-17-19-39-61(53)72-63)49-31-13-15-33-51(49)65(55)66-52-34-16-14-32-50(52)60(44-56(66)69)71(48-29-11-4-12-30-48)58-38-22-42-64-68(58)54-36-18-20-40-62(54)73-64/h1-44H.
What are the key properties of 9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine has a molecular weight of 933.12 g/mol, XLogP of 19.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is sourced from PubChem (CID 90140171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).