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

C71H60N2O2 — CID 90140354

IUPAC9-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
SMILESCC1(C)c2cc3cc(N(c4ccccc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)ccc3cc2-c2c1cc(N(c1ccccc1)c1cccc3c1oc1c(C4CCCCC4)cccc13)c1ccccc21
InChIInChI=1S/C71H60N2O2/c1-71(2)61-43-48-41-51(72(49-25-11-5-12-26-49)63-37-19-35-58-56-33-17-31-52(67(56)74-69(58)63)45-21-7-3-8-22-45)40-39-47(48)42-60(61)66-55-30-16-15-29-54(55)65(44-62(66)71)73(50-27-13-6-14-28-50)64-38-20-36-59-57-34-18-32-53(68(57)75-70(59)64)46-23-9-4-10-24-46/h5-6,11-20,25-46H,3-4,7-10,21-24H2,1-2H3
InChIKeyQAYKUVDZJAUNKA-UHFFFAOYSA-N
MW973.27 g/mol
LogP21.13
Rot. Bonds8

About 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

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 (PubChem CID 90140354) has the molecular formula C71H60N2O2 and a molecular weight of 973.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID90140354
Molecular FormulaC71H60N2O2
Molecular Weight973.27 g/mol
Exact Mass972.47
IUPAC Name9-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
SMILESCC1(C)c2cc3cc(N(c4ccccc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)ccc3cc2-c2c1cc(N(c1ccccc1)c1cccc3c1oc1c(C4CCCCC4)cccc13)c1ccccc21
InChIInChI=1S/C71H60N2O2/c1-71(2)61-43-48-41-51(72(49-25-11-5-12-26-49)63-37-19-35-58-56-33-17-31-52(67(56)74-69(58)63)45-21-7-3-8-22-45)40-39-47(48)42-60(61)66-55-30-16-15-29-54(55)65(44-62(66)71)73(50-27-13-6-14-28-50)64-38-20-36-59-57-34-18-32-53(68(57)75-70(59)64)46-23-9-4-10-24-46/h5-6,11-20,25-46H,3-4,7-10,21-24H2,1-2H3
InChIKeyQAYKUVDZJAUNKA-UHFFFAOYSA-N
XLogP21.13
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.27
LogP ≤ 521.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

6-cyclohexyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
CID 90139832
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'-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
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
7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 126550503
6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 165082497
6-N,18-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine;6-N,18-N-bis(6-cyclopentyldibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine;6-N,18-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine
CID 157354133
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-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
6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine
CID 90140016
9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[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 140738019
6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine
CID 162187961

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc3cc(N(c4ccccc4)c4cccc5c4oc4c(C6CCCCC6)cccc45)ccc3cc2-c2c1cc(N(c1ccccc1)c1cccc3c1oc1c(C4CCCCC4)cccc13)c1ccccc21.
What is the InChIKey of 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?
The InChIKey is QAYKUVDZJAUNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H60N2O2/c1-71(2)61-43-48-41-51(72(49-25-11-5-12-26-49)63-37-19-35-58-56-33-17-31-52(67(56)74-69(58)63)45-21-7-3-8-22-45)40-39-47(48)42-60(61)66-55-30-16-15-29-54(55)65(44-62(66)71)73(50-27-13-6-14-28-50)64-38-20-36-59-57-34-18-32-53(68(57)75-70(59)64)46-23-9-4-10-24-46/h5-6,11-20,25-46H,3-4,7-10,21-24H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 973.27 g/mol, XLogP of 21.13, 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)-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 is sourced from PubChem (CID 90140354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).