7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene

C80H52O2 — CID 89298312

IUPAC7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene
SMILESC1=CCC2CCC=C(c3cc(-c4cccc5ccccc45)c4oc5c(-c6cccc7ccccc67)cc6c(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)c7oc8c(-c9cccc%10c9=CCCC=%10)cc3c4c8-c5c67)C2=C1
InChIInChI=1S/C80H52O2/c1-7-31-53-47(19-1)25-13-37-59(53)65-43-69(61-39-15-27-49-21-3-9-33-55(49)61)77-73-67(65)45-71(63-41-17-29-51-23-5-11-35-57(51)63)79-75(73)76-74-68(46-72(80(76)81-77)64-42-18-30-52-24-6-12-36-58(52)64)66(60-38-14-26-48-20-2-8-32-54(48)60)44-70(78(74)82-79)62-40-16-28-50-22-4-10-34-56(50)62/h1-5,7-11,13,15-19,21-25,27-46,48H,6,12,14,20,26H2
InChIKeyHINSLNTTWNVZNV-UHFFFAOYSA-N
MW1045.29 g/mol
LogP21.01
Rot. Bonds6

About 7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene

7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene (PubChem CID 89298312) has the molecular formula C80H52O2 and a molecular weight of 1045.29 g/mol. Its IUPAC name is 7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene.

Molecular Properties

Compound Name7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene
PubChem CID89298312
Molecular FormulaC80H52O2
Molecular Weight1045.29 g/mol
Exact Mass1044.40
IUPAC Name7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene
SMILESC1=CCC2CCC=C(c3cc(-c4cccc5ccccc45)c4oc5c(-c6cccc7ccccc67)cc6c(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)c7oc8c(-c9cccc%10c9=CCCC=%10)cc3c4c8-c5c67)C2=C1
InChIInChI=1S/C80H52O2/c1-7-31-53-47(19-1)25-13-37-59(53)65-43-69(61-39-15-27-49-21-3-9-33-55(49)61)77-73-67(65)45-71(63-41-17-29-51-23-5-11-35-57(51)63)79-75(73)76-74-68(46-72(80(76)81-77)64-42-18-30-52-24-6-12-36-58(52)64)66(60-38-14-26-48-20-2-8-32-54(48)60)44-70(78(74)82-79)62-40-16-28-50-22-4-10-34-56(50)62/h1-5,7-11,13,15-19,21-25,27-46,48H,6,12,14,20,26H2
InChIKeyHINSLNTTWNVZNV-UHFFFAOYSA-N
XLogP21.01
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.29
LogP ≤ 521.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The IUPAC name of 7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene (CID 89298312) is 7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene.
What is the SMILES notation for 7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The canonical SMILES for 7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene is C1=CCC2CCC=C(c3cc(-c4cccc5ccccc45)c4oc5c(-c6cccc7ccccc67)cc6c(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)c7oc8c(-c9cccc%10c9=CCCC=%10)cc3c4c8-c5c67)C2=C1.
What is the InChIKey of 7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The InChIKey is HINSLNTTWNVZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52O2/c1-7-31-53-47(19-1)25-13-37-59(53)65-43-69(61-39-15-27-49-21-3-9-33-55(49)61)77-73-67(65)45-71(63-41-17-29-51-23-5-11-35-57(51)63)79-75(73)76-74-68(46-72(80(76)81-77)64-42-18-30-52-24-6-12-36-58(52)64)66(60-38-14-26-48-20-2-8-32-54(48)60)44-70(78(74)82-79)62-40-16-28-50-22-4-10-34-56(50)62/h1-5,7-11,13,15-19,21-25,27-46,48H,6,12,14,20,26H2.
What are the key properties of 7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene has a molecular weight of 1045.29 g/mol, XLogP of 21.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene is sourced from PubChem (CID 89298312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).