9-N,15-N-bis(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-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

C85H72N2O2 — CID 90140153

IUPAC9-N,15-N-bis(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-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
SMILESCc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4C)c4cccc5c4oc4c(C6CCCCC6)cccc45)c4ccccc24)C3(c2ccccc2)c2ccccc2)c2cccc3c2oc2c(C4CCCCC4)cccc23)c(C)c1
InChIInChI=1S/C85H72N2O2/c1-53-45-47-73(55(3)49-53)86(75-43-23-41-69-67-39-21-37-61(81(67)88-83(69)75)57-25-9-5-10-26-57)77-51-71-79(65-35-19-17-33-63(65)77)80-66-36-20-18-34-64(66)78(52-72(80)85(71,59-29-13-7-14-30-59)60-31-15-8-16-32-60)87(74-48-46-54(2)50-56(74)4)76-44-24-42-70-68-40-22-38-62(82(68)89-84(70)76)58-27-11-6-12-28-58/h7-8,13-24,29-52,57-58H,5-6,9-12,25-28H2,1-4H3
InChIKeyBCEBNCBASWDSPU-UHFFFAOYSA-N
MW1153.52 g/mol
LogP24.42
Rot. Bonds10

About 9-N,15-N-bis(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-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(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-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 90140153) has the molecular formula C85H72N2O2 and a molecular weight of 1153.52 g/mol. Its IUPAC name is 9-N,15-N-bis(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-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(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-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 CID90140153
Molecular FormulaC85H72N2O2
Molecular Weight1153.52 g/mol
Exact Mass1152.56
IUPAC Name9-N,15-N-bis(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-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
SMILESCc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4C)c4cccc5c4oc4c(C6CCCCC6)cccc45)c4ccccc24)C3(c2ccccc2)c2ccccc2)c2cccc3c2oc2c(C4CCCCC4)cccc23)c(C)c1
InChIInChI=1S/C85H72N2O2/c1-53-45-47-73(55(3)49-53)86(75-43-23-41-69-67-39-21-37-61(81(67)88-83(69)75)57-25-9-5-10-26-57)77-51-71-79(65-35-19-17-33-63(65)77)80-66-36-20-18-34-64(66)78(52-72(80)85(71,59-29-13-7-14-30-59)60-31-15-8-16-32-60)87(74-48-46-54(2)50-56(74)4)76-44-24-42-70-68-40-22-38-62(82(68)89-84(70)76)58-27-11-6-12-28-58/h7-8,13-24,29-52,57-58H,5-6,9-12,25-28H2,1-4H3
InChIKeyBCEBNCBASWDSPU-UHFFFAOYSA-N
XLogP24.42
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001153.52
LogP ≤ 524.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-N,15-N-bis(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-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

N-(6-cyclohexyldibenzofuran-4-yl)-N-(2,4-dimethylphenyl)-10-phenylspiro[acridine-9,12'-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'-amine
CID 137416179
9-N',15-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',15-N'-bis(2-methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-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 137416759
6-cyclohexyl-N-(2,4-dimethylphenyl)-N-methyldibenzofuran-4-amine
CID 138651898
9-N,15-N-bis(2,5-dimethylphenyl)-9-N,15-N-bis[6-(2-methylphenyl)dibenzofuran-4-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 90140097
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
4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 160963441
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
4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 90263193
4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 159568171
6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
CID 66687004
6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine
CID 90140016
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

Frequently Asked Questions

What is the IUPAC name of 9-N,15-N-bis(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-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(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-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 90140153) is 9-N,15-N-bis(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-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(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-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(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-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 Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4C)c4cccc5c4oc4c(C6CCCCC6)cccc45)c4ccccc24)C3(c2ccccc2)c2ccccc2)c2cccc3c2oc2c(C4CCCCC4)cccc23)c(C)c1.
What is the InChIKey of 9-N,15-N-bis(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-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 BCEBNCBASWDSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H72N2O2/c1-53-45-47-73(55(3)49-53)86(75-43-23-41-69-67-39-21-37-61(81(67)88-83(69)75)57-25-9-5-10-26-57)77-51-71-79(65-35-19-17-33-63(65)77)80-66-36-20-18-34-64(66)78(52-72(80)85(71,59-29-13-7-14-30-59)60-31-15-8-16-32-60)87(74-48-46-54(2)50-56(74)4)76-44-24-42-70-68-40-22-38-62(82(68)89-84(70)76)58-27-11-6-12-28-58/h7-8,13-24,29-52,57-58H,5-6,9-12,25-28H2,1-4H3.
What are the key properties of 9-N,15-N-bis(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-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(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-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 1153.52 g/mol, XLogP of 24.42, 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(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-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 90140153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).