18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine

C64H44N2O — CID 155458118

IUPAC18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccc(N(c3ccccc3)c3ccccc3)cc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C64H44N2O/c1-63(2)54-39-45(65(41-21-7-3-8-22-41)42-23-9-4-10-24-42)35-37-49(54)59-60(63)61-57(58-51-31-17-20-34-56(51)67-62(58)59)50-38-36-46(66(43-25-11-5-12-26-43)44-27-13-6-14-28-44)40-55(50)64(61)52-32-18-15-29-47(52)48-30-16-19-33-53(48)64/h3-40H,1-2H3
InChIKeyYZUVBOFLLKKPTR-UHFFFAOYSA-N
MW857.07 g/mol
LogP17.18
Rot. Bonds6

About 18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine

18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine (PubChem CID 155458118) has the molecular formula C64H44N2O and a molecular weight of 857.07 g/mol. Its IUPAC name is 18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine.

Molecular Properties

Compound Name18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine
PubChem CID155458118
Molecular FormulaC64H44N2O
Molecular Weight857.07 g/mol
Exact Mass856.35
IUPAC Name18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccc(N(c3ccccc3)c3ccccc3)cc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C64H44N2O/c1-63(2)54-39-45(65(41-21-7-3-8-22-41)42-23-9-4-10-24-42)35-37-49(54)59-60(63)61-57(58-51-31-17-20-34-56(51)67-62(58)59)50-38-36-46(66(43-25-11-5-12-26-43)44-27-13-6-14-28-44)40-55(50)64(61)52-32-18-15-29-47(52)48-30-16-19-33-53(48)64/h3-40H,1-2H3
InChIKeyYZUVBOFLLKKPTR-UHFFFAOYSA-N
XLogP17.18
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.07
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine with MolForge

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Related Compounds

21,21-dimethyl-N-phenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)spiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaene-18,9'-fluorene]-24-amine
CID 155458153
18,18,21,21-tetramethyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-(11,14,14-triphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 164801642
18,18,21,21-tetramethyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-(15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
CID 146439731
N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-18,18,21,21-tetramethyl-N-phenyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 164801448
4-N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-1-N,1-N-diphenyl-4-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)benzene-1,4-diamine
CID 164801630
N-dibenzofuran-1-yl-18,18,21,21-tetramethyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 155458139
N-[11-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-18,18,21,21-tetramethyl-N-(4-methylphenyl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 146432592
N-dibenzofuran-1-yl-11-phenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-amine
CID 164801103
N-(14,14-dimethyl-11-naphthalen-1-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-18,18,21,21-tetramethyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
CID 146432345
14,14-dimethyl-11-N,11-N-diphenyl-17-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-17-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine
CID 146432039
18,18,21,21-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-N-(15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
CID 146439465
4-N-(14,14-dimethyl-11-pyridin-2-yl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-1-N,1-N-diphenyl-4-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)benzene-1,4-diamine
CID 164801369

Frequently Asked Questions

What is the IUPAC name of 18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine?
The IUPAC name of 18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine (CID 155458118) is 18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine.
What is the SMILES notation for 18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine?
The canonical SMILES for 18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccc(N(c3ccccc3)c3ccccc3)cc2C12c1ccccc1-c1ccccc12.
What is the InChIKey of 18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine?
The InChIKey is YZUVBOFLLKKPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2O/c1-63(2)54-39-45(65(41-21-7-3-8-22-41)42-23-9-4-10-24-42)35-37-49(54)59-60(63)61-57(58-51-31-17-20-34-56(51)67-62(58)59)50-38-36-46(66(43-25-11-5-12-26-43)44-27-13-6-14-28-44)40-55(50)64(61)52-32-18-15-29-47(52)48-30-16-19-33-53(48)64/h3-40H,1-2H3.
What are the key properties of 18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine?
18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine has a molecular weight of 857.07 g/mol, XLogP of 17.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18,18-dimethyl-15-N,15-N,24-N,24-N-tetraphenylspiro[9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-21,9'-fluorene]-15,24-diamine is sourced from PubChem (CID 155458118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).