2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,14,20,26,32,42-nonazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3(42),4,6,9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaene

C69H51N9 — CID 123720711

IUPAC2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,14,20,26,32,42-nonazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3(42),4,6,9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaene
SMILESc1ccc(-n2c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3ncnc(n3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc2c3)cc1
InChIInChI=1S/C69H51N9/c1-7-24-52(25-8-1)73-58-36-19-37-59(46-58)74(53-26-9-2-10-27-53)61-39-21-41-63(48-61)76(55-30-13-4-14-31-55)65-43-23-45-67(50-65)78(57-34-17-6-18-35-57)69-71-51-70-68(72-69)77(56-32-15-5-16-33-56)66-44-22-42-64(49-66)75(54-28-11-3-12-29-54)62-40-20-38-60(73)47-62/h1-51H
InChIKeyUNGCCQFACMVJAD-UHFFFAOYSA-N
MW1006.23 g/mol
LogP16.59
Rot. Bonds6

About 2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,14,20,26,32,42-nonazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3(42),4,6,9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaene

2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,14,20,26,32,42-nonazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3(42),4,6,9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaene (PubChem CID 123720711) has the molecular formula C69H51N9 and a molecular weight of 1006.23 g/mol. Its IUPAC name is 2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,14,20,26,32,42-nonazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3(42),4,6,9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaene.

Molecular Properties

Compound Name2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,14,20,26,32,42-nonazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3(42),4,6,9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaene
PubChem CID123720711
Molecular FormulaC69H51N9
Molecular Weight1006.23 g/mol
Exact Mass1005.43
IUPAC Name2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,14,20,26,32,42-nonazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3(42),4,6,9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaene
SMILESc1ccc(-n2c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3ncnc(n3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc2c3)cc1
InChIInChI=1S/C69H51N9/c1-7-24-52(25-8-1)73-58-36-19-37-59(46-58)74(53-26-9-2-10-27-53)61-39-21-41-63(48-61)76(55-30-13-4-14-31-55)65-43-23-45-67(50-65)78(57-34-17-6-18-35-57)69-71-51-70-68(72-69)77(56-32-15-5-16-33-56)66-44-22-42-64(49-66)75(54-28-11-3-12-29-54)62-40-20-38-60(73)47-62/h1-51H
InChIKeyUNGCCQFACMVJAD-UHFFFAOYSA-N
XLogP16.59
TPSA68.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001006.23
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,14,20,26,32,42-nonazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3(42),4,6,9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaene with MolForge

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Related Compounds

2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene
CID 123675811
2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene
CID 20741003
2-phenyl-13-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene
CID 170652129
7-phenyl-18-(9-phenylcarbazol-3-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651912
7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170652102
9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 122627424
7-(9-naphthalen-1-ylcarbazol-2-yl)-18-(9-phenylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651937
5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
CID 118429566
3,5-bis(3-methylphenyl)-4-phenyl-1,2,4-triazole
CID 58390339
4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole
CID 2773117
3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6,9-diphenylcarbazole
CID 58943233
15-phenyl-8-(9-phenylcarbazol-3-yl)-4,6,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 126682730

Frequently Asked Questions

What is the IUPAC name of 2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,14,20,26,32,42-nonazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3(42),4,6,9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaene?
The IUPAC name of 2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,14,20,26,32,42-nonazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3(42),4,6,9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaene (CID 123720711) is 2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,14,20,26,32,42-nonazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3(42),4,6,9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaene.
What is the SMILES notation for 2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,14,20,26,32,42-nonazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3(42),4,6,9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaene?
The canonical SMILES for 2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,14,20,26,32,42-nonazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3(42),4,6,9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaene is c1ccc(-n2c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3ncnc(n3)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3cccc2c3)cc1.
What is the InChIKey of 2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,14,20,26,32,42-nonazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3(42),4,6,9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaene?
The InChIKey is UNGCCQFACMVJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H51N9/c1-7-24-52(25-8-1)73-58-36-19-37-59(46-58)74(53-26-9-2-10-27-53)61-39-21-41-63(48-61)76(55-30-13-4-14-31-55)65-43-23-45-67(50-65)78(57-34-17-6-18-35-57)69-71-51-70-68(72-69)77(56-32-15-5-16-33-56)66-44-22-42-64(49-66)75(54-28-11-3-12-29-54)62-40-20-38-60(73)47-62/h1-51H.
What are the key properties of 2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,14,20,26,32,42-nonazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3(42),4,6,9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaene?
2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,14,20,26,32,42-nonazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3(42),4,6,9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaene has a molecular weight of 1006.23 g/mol, XLogP of 16.59, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,14,20,26,32,42-nonazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3(42),4,6,9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaene is sourced from PubChem (CID 123720711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).