9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine

C81H62N2O2 — CID 145353152

IUPAC9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
SMILESc1ccc(N(c2ccc3c4c(ccc3c2)-c2c(cc(N(c3ccccc3)c3cccc5c3oc3c(C6CCCCC6)cccc35)c3ccccc23)C42c3ccccc3-c3ccccc32)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
InChIInChI=1S/C81H62N2O2/c1-5-23-51(24-6-1)58-35-19-37-64-66-39-21-43-72(79(66)84-77(58)64)82(54-27-9-3-10-28-54)56-46-48-57-53(49-56)45-47-68-75-63-34-14-13-33-62(63)74(50-71(75)81(76(57)68)69-41-17-15-31-60(69)61-32-16-18-42-70(61)81)83(55-29-11-4-12-30-55)73-44-22-40-67-65-38-20-36-59(78(65)85-80(67)73)52-25-7-2-8-26-52/h3-4,9-22,27-52H,1-2,5-8,23-26H2
InChIKeySBCHWSZKMCBQRM-UHFFFAOYSA-N
MW1095.40 g/mol
LogP23.17
Rot. Bonds8

About 9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine

9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine (PubChem CID 145353152) has the molecular formula C81H62N2O2 and a molecular weight of 1095.40 g/mol. Its IUPAC name is 9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine.

Molecular Properties

Compound Name9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
PubChem CID145353152
Molecular FormulaC81H62N2O2
Molecular Weight1095.40 g/mol
Exact Mass1094.48
IUPAC Name9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
SMILESc1ccc(N(c2ccc3c4c(ccc3c2)-c2c(cc(N(c3ccccc3)c3cccc5c3oc3c(C6CCCCC6)cccc35)c3ccccc23)C42c3ccccc3-c3ccccc32)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
InChIInChI=1S/C81H62N2O2/c1-5-23-51(24-6-1)58-35-19-37-64-66-39-21-43-72(79(66)84-77(58)64)82(54-27-9-3-10-28-54)56-46-48-57-53(49-56)45-47-68-75-63-34-14-13-33-62(63)74(50-71(75)81(76(57)68)69-41-17-15-31-60(69)61-32-16-18-42-70(61)81)83(55-29-11-4-12-30-55)73-44-22-40-67-65-38-20-36-59(78(65)85-80(67)73)52-25-7-2-8-26-52/h3-4,9-22,27-52H,1-2,5-8,23-26H2
InChIKeySBCHWSZKMCBQRM-UHFFFAOYSA-N
XLogP23.17
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001095.40
LogP ≤ 523.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine with MolForge

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Related Compounds

6-cyclohexyl-N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaenyl)-N-phenyldibenzofuran-4-amine
CID 90140395
9-N,17-N-bis(6-cyclohexyldibenzofuran-4-yl)-12,12-dimethyl-9-N,17-N-diphenylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine
CID 90140354
5-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-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 121430685
9-N',17-N'-diphenyl-9-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 137492974
5-N,9-N-bis(6-cyclopentyldibenzofuran-4-yl)-7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)benzo[c]fluorene-5,9-diamine
CID 90139959
9-N',17-N'-diphenyl-9-N',17-N'-bis[2-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 137492913
6-N,18-N-bis(6-cyclopentyldibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 157323255
9-N',17-N'-bis(4-fluorophenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 137492835
9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 145353209
6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine
CID 90140016
6-cyclohexyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
CID 90139832
9-N',17-N'-di(dibenzofuran-4-yl)-9-N',17-N'-bis(2-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine;9-N',17-N'-di(dibenzofuran-4-yl)-9-N',17-N'-bis(3-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine;9-N',17-N'-di(dibenzofuran-4-yl)-9-N',17-N'-bis(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 159414247

Frequently Asked Questions

What is the IUPAC name of 9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine?
The IUPAC name of 9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine (CID 145353152) is 9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine.
What is the SMILES notation for 9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine?
The canonical SMILES for 9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine is c1ccc(N(c2ccc3c4c(ccc3c2)-c2c(cc(N(c3ccccc3)c3cccc5c3oc3c(C6CCCCC6)cccc35)c3ccccc23)C42c3ccccc3-c3ccccc32)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.
What is the InChIKey of 9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine?
The InChIKey is SBCHWSZKMCBQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H62N2O2/c1-5-23-51(24-6-1)58-35-19-37-64-66-39-21-43-72(79(66)84-77(58)64)82(54-27-9-3-10-28-54)56-46-48-57-53(49-56)45-47-68-75-63-34-14-13-33-62(63)74(50-71(75)81(76(57)68)69-41-17-15-31-60(69)61-32-16-18-42-70(61)81)83(55-29-11-4-12-30-55)73-44-22-40-67-65-38-20-36-59(78(65)85-80(67)73)52-25-7-2-8-26-52/h3-4,9-22,27-52H,1-2,5-8,23-26H2.
What are the key properties of 9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine?
9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine has a molecular weight of 1095.40 g/mol, XLogP of 23.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine is sourced from PubChem (CID 145353152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).