8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene]

C71H50N2O — CID 166958396

IUPAC8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene]
SMILESC1=CCC(N2c3ccccc3C3c4ccccc4C4(c5ccccc5-c5c6cc(cc54)-c4cccc(c4)CC(c4ccccc4)Cc4cccc5c4oc4c(cccc45)N6c4ccccc4)c4cccc2c43)C=C1
InChIInChI=1S/C71H50N2O/c1-4-21-46(22-5-1)49-41-45-20-16-23-47(40-45)50-43-61-67(65(44-50)73(52-27-8-3-9-28-52)64-39-18-33-54-53-32-17-24-48(42-49)69(53)74-70(54)64)56-30-11-14-35-59(56)71(61)58-34-13-10-29-55(58)66-57-31-12-15-37-62(57)72(51-25-6-2-7-26-51)63-38-19-36-60(71)68(63)66/h1-25,27-40,43-44,49,51,66H,26,41-42H2
InChIKeyVCBRSRFIJDORSE-UHFFFAOYSA-N
MW947.19 g/mol
LogP17.80
Rot. Bonds3

About 8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene]

8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene] (PubChem CID 166958396) has the molecular formula C71H50N2O and a molecular weight of 947.19 g/mol. Its IUPAC name is 8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene].

Molecular Properties

Compound Name8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene]
PubChem CID166958396
Molecular FormulaC71H50N2O
Molecular Weight947.19 g/mol
Exact Mass946.39
IUPAC Name8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene]
SMILESC1=CCC(N2c3ccccc3C3c4ccccc4C4(c5ccccc5-c5c6cc(cc54)-c4cccc(c4)CC(c4ccccc4)Cc4cccc5c4oc4c(cccc45)N6c4ccccc4)c4cccc2c43)C=C1
InChIInChI=1S/C71H50N2O/c1-4-21-46(22-5-1)49-41-45-20-16-23-47(40-45)50-43-61-67(65(44-50)73(52-27-8-3-9-28-52)64-39-18-33-54-53-32-17-24-48(42-49)69(53)74-70(54)64)56-30-11-14-35-59(56)71(61)58-34-13-10-29-55(58)66-57-31-12-15-37-62(57)72(51-25-6-2-7-26-51)63-38-19-36-60(71)68(63)66/h1-25,27-40,43-44,49,51,66H,26,41-42H2
InChIKeyVCBRSRFIJDORSE-UHFFFAOYSA-N
XLogP17.80
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.19
LogP ≤ 517.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene] with MolForge

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Related Compounds

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10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine
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4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 145320473
N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166787
10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine
CID 146581785
11-[7-[(E)-2-[7-(10-cyclohexa-2,4-dien-1-ylphenazin-5-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89071630
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzoxazole
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3,7-diphenyl-10-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenoxazine
CID 121444463
3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
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CID 126612077
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Frequently Asked Questions

What is the IUPAC name of 8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene]?
The IUPAC name of 8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene] (CID 166958396) is 8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene].
What is the SMILES notation for 8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene]?
The canonical SMILES for 8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene] is C1=CCC(N2c3ccccc3C3c4ccccc4C4(c5ccccc5-c5c6cc(cc54)-c4cccc(c4)CC(c4ccccc4)Cc4cccc5c4oc4c(cccc45)N6c4ccccc4)c4cccc2c43)C=C1.
What is the InChIKey of 8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene]?
The InChIKey is VCBRSRFIJDORSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H50N2O/c1-4-21-46(22-5-1)49-41-45-20-16-23-47(40-45)50-43-61-67(65(44-50)73(52-27-8-3-9-28-52)64-39-18-33-54-53-32-17-24-48(42-49)69(53)74-70(54)64)56-30-11-14-35-59(56)71(61)58-34-13-10-29-55(58)66-57-31-12-15-37-62(57)72(51-25-6-2-7-26-51)63-38-19-36-60(71)68(63)66/h1-25,27-40,43-44,49,51,66H,26,41-42H2.
What are the key properties of 8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene]?
8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene] has a molecular weight of 947.19 g/mol, XLogP of 17.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-cyclohexa-2,4-dien-1-yl-8,23-diphenylspiro[16-oxa-23-azaoctacyclo[22.10.1.12,6.010,15.014,18.017,22.025,33.026,31]hexatriaconta-1(34),2,4,6(36),10(15),11,13,17,19,21,24(35),25(33),26,28,30-pentadecaene-32,14'-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene] is sourced from PubChem (CID 166958396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).