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

C81H64N2O2 — CID 90140162

IUPAC9-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
SMILESc1ccc(C2(c3ccccc3)c3cc(N(c4ccc(C5CCCCC5)cc4)c4ccc5c(c4)oc4ccccc45)c4ccccc4c3-c3c2cc(N(c2ccc(C4CCCCC4)cc2)c2ccc4c(c2)oc2ccccc24)c2ccccc32)cc1
InChIInChI=1S/C81H64N2O2/c1-5-21-53(22-6-1)55-37-41-59(42-38-55)82(61-45-47-67-65-31-17-19-35-75(65)84-77(67)49-61)73-51-71-79(69-33-15-13-29-63(69)73)80-70-34-16-14-30-64(70)74(52-72(80)81(71,57-25-9-3-10-26-57)58-27-11-4-12-28-58)83(60-43-39-56(40-44-60)54-23-7-2-8-24-54)62-46-48-68-66-32-18-20-36-76(66)85-78(68)50-62/h3-4,9-20,25-54H,1-2,5-8,21-24H2
InChIKeyCQIZKYVHOZTLKE-UHFFFAOYSA-N
MW1097.42 g/mol
LogP23.19
Rot. Bonds10

About 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

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 (PubChem CID 90140162) has the molecular formula C81H64N2O2 and a molecular weight of 1097.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID90140162
Molecular FormulaC81H64N2O2
Molecular Weight1097.42 g/mol
Exact Mass1096.50
IUPAC Name9-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
SMILESc1ccc(C2(c3ccccc3)c3cc(N(c4ccc(C5CCCCC5)cc4)c4ccc5c(c4)oc4ccccc45)c4ccccc4c3-c3c2cc(N(c2ccc(C4CCCCC4)cc2)c2ccc4c(c2)oc2ccccc24)c2ccccc32)cc1
InChIInChI=1S/C81H64N2O2/c1-5-21-53(22-6-1)55-37-41-59(42-38-55)82(61-45-47-67-65-31-17-19-35-75(65)84-77(67)49-61)73-51-71-79(69-33-15-13-29-63(69)73)80-70-34-16-14-30-64(70)74(52-72(80)81(71,57-25-9-3-10-26-57)58-27-11-4-12-28-58)83(60-43-39-56(40-44-60)54-23-7-2-8-24-54)62-46-48-68-66-32-18-20-36-76(66)85-78(68)50-62/h3-4,9-20,25-54H,1-2,5-8,21-24H2
InChIKeyCQIZKYVHOZTLKE-UHFFFAOYSA-N
XLogP23.19
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.42
LogP ≤ 523.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

9-N,9-N,15-N,15-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)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 140738174
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
N-(4-cyclohexylphenyl)-N-phenylspiro[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'-amine
CID 137494409
5-N,22-N-bis(4-cyclohexylphenyl)-25,25-dimethyl-5-N,22-N-diphenylhexacyclo[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 121430654
9-N,15-N-bis(4-cyclohexylphenyl)-9-N,15-N-di(dibenzofuran-4-yl)-12-oxapentacyclo[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 90263250
18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404372
N,N-bis(4-cyclohexylphenyl)-25,25-dimethylhexacyclo[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-dodecaen-22-amine
CID 121431489
15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N-bis(4-tert-butylphenyl)-15-(4-cyclopentylphenyl)-12-N,18-N-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163807288
N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine
CID 121400530
N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine
CID 164774322
3-N'-dibenzofuran-3-yl-3-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775076
5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775418

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2(c3ccccc3)c3cc(N(c4ccc(C5CCCCC5)cc4)c4ccc5c(c4)oc4ccccc45)c4ccccc4c3-c3c2cc(N(c2ccc(C4CCCCC4)cc2)c2ccc4c(c2)oc2ccccc24)c2ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is CQIZKYVHOZTLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H64N2O2/c1-5-21-53(22-6-1)55-37-41-59(42-38-55)82(61-45-47-67-65-31-17-19-35-75(65)84-77(67)49-61)73-51-71-79(69-33-15-13-29-63(69)73)80-70-34-16-14-30-64(70)74(52-72(80)81(71,57-25-9-3-10-26-57)58-27-11-4-12-28-58)83(60-43-39-56(40-44-60)54-23-7-2-8-24-54)62-46-48-68-66-32-18-20-36-76(66)85-78(68)50-62/h3-4,9-20,25-54H,1-2,5-8,21-24H2.
What are the key properties of 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?
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 has a molecular weight of 1097.42 g/mol, XLogP of 23.19, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90140162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).