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

C87H54O3 — CID 89491411

IUPAC6-[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
SMILESOc1ccc2cc(C3(c4ccc5ccccc5c4)c4ccccc4-c4c3c3c(c5c4C(c4ccc6ccccc6c4)(c4ccc6cc(O)ccc6c4)c4ccccc4-5)C(c4ccc5ccccc5c4)(c4ccc5cc(O)ccc5c4)c4ccccc4-3)ccc2c1
InChIInChI=1S/C87H54O3/c88-70-40-31-58-46-67(37-28-61(58)49-70)85(64-34-25-52-13-1-4-16-55(52)43-64)76-22-10-7-19-73(76)79-82(85)80-74-20-8-11-23-77(74)86(65-35-26-53-14-2-5-17-56(53)44-65,68-38-29-62-50-71(89)41-32-59(62)47-68)84(80)81-75-21-9-12-24-78(75)87(83(79)81,66-36-27-54-15-3-6-18-57(54)45-66)69-39-30-63-51-72(90)42-33-60(63)48-69/h1-51,88-90H
InChIKeyCECCNQCORXPCSI-UHFFFAOYSA-N
MW1147.39 g/mol
LogP20.81
Rot. Bonds6

About 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

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 (PubChem CID 89491411) has the molecular formula C87H54O3 and a molecular weight of 1147.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID89491411
Molecular FormulaC87H54O3
Molecular Weight1147.39 g/mol
Exact Mass1146.41
IUPAC Name6-[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
SMILESOc1ccc2cc(C3(c4ccc5ccccc5c4)c4ccccc4-c4c3c3c(c5c4C(c4ccc6ccccc6c4)(c4ccc6cc(O)ccc6c4)c4ccccc4-5)C(c4ccc5ccccc5c4)(c4ccc5cc(O)ccc5c4)c4ccccc4-3)ccc2c1
InChIInChI=1S/C87H54O3/c88-70-40-31-58-46-67(37-28-61(58)49-70)85(64-34-25-52-13-1-4-16-55(52)43-64)76-22-10-7-19-73(76)79-82(85)80-74-20-8-11-23-77(74)86(65-35-26-53-14-2-5-17-56(53)44-65,68-38-29-62-50-71(89)41-32-59(62)47-68)84(80)81-75-21-9-12-24-78(75)87(83(79)81,66-36-27-54-15-3-6-18-57(54)45-66)69-39-30-63-51-72(90)42-33-60(63)48-69/h1-51,88-90H
InChIKeyCECCNQCORXPCSI-UHFFFAOYSA-N
XLogP20.81
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.39
LogP ≤ 520.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Oc1ccc2cc(C3(c4ccc5ccccc5c4)c4ccccc4-c4c3c3c(c5c4C(c4ccc6ccccc6c4)(c4ccc6cc(O)ccc6c4)c4ccccc4-5)C(c4ccc5ccccc5c4)(c4ccc5cc(O)ccc5c4)c4ccccc4-3)ccc2c1.
What is the InChIKey of 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?
The InChIKey is CECCNQCORXPCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H54O3/c88-70-40-31-58-46-67(37-28-61(58)49-70)85(64-34-25-52-13-1-4-16-55(52)43-64)76-22-10-7-19-73(76)79-82(85)80-74-20-8-11-23-77(74)86(65-35-26-53-14-2-5-17-56(53)44-65,68-38-29-62-50-71(89)41-32-59(62)47-68)84(80)81-75-21-9-12-24-78(75)87(83(79)81,66-36-27-54-15-3-6-18-57(54)45-66)69-39-30-63-51-72(90)42-33-60(63)48-69/h1-51,88-90H.
What are the key properties of 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?
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 has a molecular weight of 1147.39 g/mol, XLogP of 20.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89491411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).