5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene

C68H48 — CID 123783925

IUPAC5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
SMILESc1ccc2cc(-c3cc4cc(c3)Cc3cc(cc(-c5ccc6ccccc6c5)c3)Cc3cc(cc(-c5ccc6ccccc6c5)c3)Cc3cc(cc(-c5ccc6ccccc6c5)c3)C4)ccc2c1
InChIInChI=1S/C68H48/c1-5-13-57-41-61(21-17-53(57)9-1)65-33-45-25-46(34-65)30-48-27-50(38-67(36-48)63-23-19-55-11-3-7-15-59(55)43-63)32-52-28-51(39-68(40-52)64-24-20-56-12-4-8-16-60(56)44-64)31-49-26-47(29-45)35-66(37-49)62-22-18-54-10-2-6-14-58(54)42-62/h1-28,33-44H,29-32H2
InChIKeySDDNREWSCADPST-UHFFFAOYSA-N
MW865.13 g/mol
LogP17.64
Rot. Bonds4

About 5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene

5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene (PubChem CID 123783925) has the molecular formula C68H48 and a molecular weight of 865.13 g/mol. Its IUPAC name is 5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene.

Molecular Properties

Compound Name5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
PubChem CID123783925
Molecular FormulaC68H48
Molecular Weight865.13 g/mol
Exact Mass864.38
IUPAC Name5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
SMILESc1ccc2cc(-c3cc4cc(c3)Cc3cc(cc(-c5ccc6ccccc6c5)c3)Cc3cc(cc(-c5ccc6ccccc6c5)c3)Cc3cc(cc(-c5ccc6ccccc6c5)c3)C4)ccc2c1
InChIInChI=1S/C68H48/c1-5-13-57-41-61(21-17-53(57)9-1)65-33-45-25-46(34-65)30-48-27-50(38-67(36-48)63-23-19-55-11-3-7-15-59(55)43-63)32-52-28-51(39-68(40-52)64-24-20-56-12-4-8-16-60(56)44-64)31-49-26-47(29-45)35-66(37-49)62-22-18-54-10-2-6-14-58(54)42-62/h1-28,33-44H,29-32H2
InChIKeySDDNREWSCADPST-UHFFFAOYSA-N
XLogP17.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.13
LogP ≤ 517.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
The IUPAC name of 5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene (CID 123783925) is 5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene.
What is the SMILES notation for 5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
The canonical SMILES for 5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene is c1ccc2cc(-c3cc4cc(c3)Cc3cc(cc(-c5ccc6ccccc6c5)c3)Cc3cc(cc(-c5ccc6ccccc6c5)c3)Cc3cc(cc(-c5ccc6ccccc6c5)c3)C4)ccc2c1.
What is the InChIKey of 5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
The InChIKey is SDDNREWSCADPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48/c1-5-13-57-41-61(21-17-53(57)9-1)65-33-45-25-46(34-65)30-48-27-50(38-67(36-48)63-23-19-55-11-3-7-15-59(55)43-63)32-52-28-51(39-68(40-52)64-24-20-56-12-4-8-16-60(56)44-64)31-49-26-47(29-45)35-66(37-49)62-22-18-54-10-2-6-14-58(54)42-62/h1-28,33-44H,29-32H2.
What are the key properties of 5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene has a molecular weight of 865.13 g/mol, XLogP of 17.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17,23-tetranaphthalen-2-ylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene is sourced from PubChem (CID 123783925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).