heptacyclo[17.11.0.04,16.05,13.07,12.020,28.022,27]triaconta-1(19),4(16),5(13),6,8,10,14,20(28),21,23,25,29-dodecaene

C30H24 — CID 18326904

IUPACheptacyclo[17.11.0.04,16.05,13.07,12.020,28.022,27]triaconta-1(19),4(16),5(13),6,8,10,14,20(28),21,23,25,29-dodecaene
SMILESC1=CC2=Cc3c(ccc4c3CCc3ccc5c(c3CC4)C=C3C=CC=CC35)C2C=C1
InChIInChI=1S/C30H24/c1-3-7-23-21(5-1)17-29-25-13-9-20-12-16-28-24-8-4-2-6-22(24)18-30(28)26(20)14-10-19(25)11-15-27(23)29/h1-8,11-12,15-18,23-24H,9-10,13-14H2
InChIKeyYJEKOBDSMAPAKA-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.78
Rot. Bonds

About heptacyclo[17.11.0.04,16.05,13.07,12.020,28.022,27]triaconta-1(19),4(16),5(13),6,8,10,14,20(28),21,23,25,29-dodecaene

heptacyclo[17.11.0.04,16.05,13.07,12.020,28.022,27]triaconta-1(19),4(16),5(13),6,8,10,14,20(28),21,23,25,29-dodecaene (PubChem CID 18326904) has the molecular formula C30H24 and a molecular weight of 384.52 g/mol. Its IUPAC name is heptacyclo[17.11.0.04,16.05,13.07,12.020,28.022,27]triaconta-1(19),4(16),5(13),6,8,10,14,20(28),21,23,25,29-dodecaene.

Molecular Properties

Compound Nameheptacyclo[17.11.0.04,16.05,13.07,12.020,28.022,27]triaconta-1(19),4(16),5(13),6,8,10,14,20(28),21,23,25,29-dodecaene
PubChem CID18326904
Molecular FormulaC30H24
Molecular Weight384.52 g/mol
Exact Mass384.19
IUPAC Nameheptacyclo[17.11.0.04,16.05,13.07,12.020,28.022,27]triaconta-1(19),4(16),5(13),6,8,10,14,20(28),21,23,25,29-dodecaene
SMILESC1=CC2=Cc3c(ccc4c3CCc3ccc5c(c3CC4)C=C3C=CC=CC35)C2C=C1
InChIInChI=1S/C30H24/c1-3-7-23-21(5-1)17-29-25-13-9-20-12-16-28-24-8-4-2-6-22(24)18-30(28)26(20)14-10-19(25)11-15-27(23)29/h1-8,11-12,15-18,23-24H,9-10,13-14H2
InChIKeyYJEKOBDSMAPAKA-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze heptacyclo[17.11.0.04,16.05,13.07,12.020,28.022,27]triaconta-1(19),4(16),5(13),6,8,10,14,20(28),21,23,25,29-dodecaene with MolForge

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Related Compounds

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CID 166777359
11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane
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Frequently Asked Questions

What is the IUPAC name of heptacyclo[17.11.0.04,16.05,13.07,12.020,28.022,27]triaconta-1(19),4(16),5(13),6,8,10,14,20(28),21,23,25,29-dodecaene?
The IUPAC name of heptacyclo[17.11.0.04,16.05,13.07,12.020,28.022,27]triaconta-1(19),4(16),5(13),6,8,10,14,20(28),21,23,25,29-dodecaene (CID 18326904) is heptacyclo[17.11.0.04,16.05,13.07,12.020,28.022,27]triaconta-1(19),4(16),5(13),6,8,10,14,20(28),21,23,25,29-dodecaene.
What is the SMILES notation for heptacyclo[17.11.0.04,16.05,13.07,12.020,28.022,27]triaconta-1(19),4(16),5(13),6,8,10,14,20(28),21,23,25,29-dodecaene?
The canonical SMILES for heptacyclo[17.11.0.04,16.05,13.07,12.020,28.022,27]triaconta-1(19),4(16),5(13),6,8,10,14,20(28),21,23,25,29-dodecaene is C1=CC2=Cc3c(ccc4c3CCc3ccc5c(c3CC4)C=C3C=CC=CC35)C2C=C1.
What is the InChIKey of heptacyclo[17.11.0.04,16.05,13.07,12.020,28.022,27]triaconta-1(19),4(16),5(13),6,8,10,14,20(28),21,23,25,29-dodecaene?
The InChIKey is YJEKOBDSMAPAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24/c1-3-7-23-21(5-1)17-29-25-13-9-20-12-16-28-24-8-4-2-6-22(24)18-30(28)26(20)14-10-19(25)11-15-27(23)29/h1-8,11-12,15-18,23-24H,9-10,13-14H2.
What are the key properties of heptacyclo[17.11.0.04,16.05,13.07,12.020,28.022,27]triaconta-1(19),4(16),5(13),6,8,10,14,20(28),21,23,25,29-dodecaene?
heptacyclo[17.11.0.04,16.05,13.07,12.020,28.022,27]triaconta-1(19),4(16),5(13),6,8,10,14,20(28),21,23,25,29-dodecaene has a molecular weight of 384.52 g/mol, XLogP of 6.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[17.11.0.04,16.05,13.07,12.020,28.022,27]triaconta-1(19),4(16),5(13),6,8,10,14,20(28),21,23,25,29-dodecaene is sourced from PubChem (CID 18326904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).