6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol

C87H54O6 — CID 89491369

IUPAC6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol
SMILESOc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccccc4-c4c3c3c(c5c4C(c4ccc6cc(O)ccc6c4)(c4ccc6cc(O)ccc6c4)c4ccccc4-5)C(c4ccc5cc(O)ccc5c4)(c4ccc5cc(O)ccc5c4)c4ccccc4-3)ccc2c1
InChIInChI=1S/C87H54O6/c88-67-31-19-49-37-61(25-13-55(49)43-67)85(62-26-14-56-44-68(89)32-20-50(56)38-62)76-10-4-1-7-73(76)79-82(85)80-75-9-3-6-12-78(75)87(65-29-17-59-47-71(92)35-23-53(59)41-65,66-30-18-60-48-72(93)36-24-54(60)42-66)84(80)81-74-8-2-5-11-77(74)86(83(79)81,63-27-15-57-45-69(90)33-21-51(57)39-63)64-28-16-58-46-70(91)34-22-52(58)40-64/h1-48,88-93H
InChIKeyGFXJPVMTZBFMOG-UHFFFAOYSA-N
MW1195.38 g/mol
LogP19.93
Rot. Bonds6

About 6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol

6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol (PubChem CID 89491369) has the molecular formula C87H54O6 and a molecular weight of 1195.38 g/mol. Its IUPAC name is 6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol
PubChem CID89491369
Molecular FormulaC87H54O6
Molecular Weight1195.38 g/mol
Exact Mass1194.39
IUPAC Name6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol
SMILESOc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccccc4-c4c3c3c(c5c4C(c4ccc6cc(O)ccc6c4)(c4ccc6cc(O)ccc6c4)c4ccccc4-5)C(c4ccc5cc(O)ccc5c4)(c4ccc5cc(O)ccc5c4)c4ccccc4-3)ccc2c1
InChIInChI=1S/C87H54O6/c88-67-31-19-49-37-61(25-13-55(49)43-67)85(62-26-14-56-44-68(89)32-20-50(56)38-62)76-10-4-1-7-73(76)79-82(85)80-75-9-3-6-12-78(75)87(65-29-17-59-47-71(92)35-23-53(59)41-65,66-30-18-60-48-72(93)36-24-54(60)42-66)84(80)81-74-8-2-5-11-77(74)86(83(79)81,63-27-15-57-45-69(90)33-21-51(57)39-63)64-28-16-58-46-70(91)34-22-52(58)40-64/h1-48,88-93H
InChIKeyGFXJPVMTZBFMOG-UHFFFAOYSA-N
XLogP19.93
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001195.38
LogP ≤ 519.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol with MolForge

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Related Compounds

6-[18,27-bis(6-hydroxynaphthalen-2-yl)-9,18,27-trinaphthalen-2-yl-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol
CID 89491411
6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol
CID 89491461
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 158196216
anthracene-1,8-diol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 159179801
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
CID 142536403
6-[9-(6-hydroxynaphthalen-2-yl)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol
CID 154629781
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol
CID 153407946
6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol
CID 126481591
6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol
CID 165116782
9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 59217347
2-[[6-[9,18,18,27,27-pentakis[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-yl]oxymethyl]oxirane
CID 89491365

Frequently Asked Questions

What is the IUPAC name of 6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol?
The IUPAC name of 6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol (CID 89491369) is 6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol.
What is the SMILES notation for 6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol?
The canonical SMILES for 6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol is Oc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccccc4-c4c3c3c(c5c4C(c4ccc6cc(O)ccc6c4)(c4ccc6cc(O)ccc6c4)c4ccccc4-5)C(c4ccc5cc(O)ccc5c4)(c4ccc5cc(O)ccc5c4)c4ccccc4-3)ccc2c1.
What is the InChIKey of 6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol?
The InChIKey is GFXJPVMTZBFMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H54O6/c88-67-31-19-49-37-61(25-13-55(49)43-67)85(62-26-14-56-44-68(89)32-20-50(56)38-62)76-10-4-1-7-73(76)79-82(85)80-75-9-3-6-12-78(75)87(65-29-17-59-47-71(92)35-23-53(59)41-65,66-30-18-60-48-72(93)36-24-54(60)42-66)84(80)81-74-8-2-5-11-77(74)86(83(79)81,63-27-15-57-45-69(90)33-21-51(57)39-63)64-28-16-58-46-70(91)34-22-52(58)40-64/h1-48,88-93H.
What are the key properties of 6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol?
6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol has a molecular weight of 1195.38 g/mol, XLogP of 19.93, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol is sourced from PubChem (CID 89491369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).