hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene

C24H18 — CID 101378249

IUPAChexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene
SMILESC1=CC=C2CC(=C1)C=C1CC3=CC4=CC=CC=C(C4)C4=C3C1=C2C4
InChIInChI=1S/C24H18/c1-3-7-17-9-15(5-1)11-19-13-20-12-16-6-2-4-8-18(10-16)22-14-21(17)23(19)24(20)22/h1-8,11-12H,9-10,13-14H2
InChIKeyDKKAYQIJBBTVNA-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.89
Rot. Bonds

About hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene

hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene (PubChem CID 101378249) has the molecular formula C24H18 and a molecular weight of 306.41 g/mol. Its IUPAC name is hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene.

Molecular Properties

Compound Namehexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene
PubChem CID101378249
Molecular FormulaC24H18
Molecular Weight306.41 g/mol
Exact Mass306.14
IUPAC Namehexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene
SMILESC1=CC=C2CC(=C1)C=C1CC3=CC4=CC=CC=C(C4)C4=C3C1=C2C4
InChIInChI=1S/C24H18/c1-3-7-17-9-15(5-1)11-19-13-20-12-16-6-2-4-8-18(10-16)22-14-21(17)23(19)24(20)22/h1-8,11-12H,9-10,13-14H2
InChIKeyDKKAYQIJBBTVNA-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-ol
CID 12859387
4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one
CID 142722776
tricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one
CID 101225290
bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2-carbonitrile
CID 12840769
(2Z,5Z)-4-thiabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
CID 23247675
bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2,5-dicarbaldehyde
CID 13495838
tricyclo[6.2.1.02,6]undeca-1,3,5,8(11),9-pentaene
CID 143781348
tetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 134897862
bicyclo[3.3.1]nona-1,3,5,7-tetraene
CID 141161601
bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-3-carboxylic acid
CID 12564651
bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
CID 71437852
2-(3-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)acetonitrile
CID 125469506

Frequently Asked Questions

What is the IUPAC name of hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The IUPAC name of hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene (CID 101378249) is hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene.
What is the SMILES notation for hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The canonical SMILES for hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene is C1=CC=C2CC(=C1)C=C1CC3=CC4=CC=CC=C(C4)C4=C3C1=C2C4.
What is the InChIKey of hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The InChIKey is DKKAYQIJBBTVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18/c1-3-7-17-9-15(5-1)11-19-13-20-12-16-6-2-4-8-18(10-16)22-14-21(17)23(19)24(20)22/h1-8,11-12H,9-10,13-14H2.
What are the key properties of hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene has a molecular weight of 306.41 g/mol, XLogP of 5.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene is sourced from PubChem (CID 101378249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).