14,14-dimethylpentacyclo[10.7.2.02,7.09,20.017,21]henicosa-1(20),2,4,6,8,10,12,15,17(21),18-decaene

C23H18 — CID 123333566

IUPAC14,14-dimethylpentacyclo[10.7.2.02,7.09,20.017,21]henicosa-1(20),2,4,6,8,10,12,15,17(21),18-decaene
SMILESCC1(C)C=Cc2ccc3c4ccccc4cc4ccc(c2c43)=C1
InChIInChI=1S/C23H18/c1-23(2)12-11-15-9-10-20-19-6-4-3-5-16(19)13-17-7-8-18(14-23)21(15)22(17)20/h3-14H,1-2H3
InChIKeyBIEOXHGIHAJOKF-UHFFFAOYSA-N
MW294.40 g/mol
LogP5.70
Rot. Bonds

About 14,14-dimethylpentacyclo[10.7.2.02,7.09,20.017,21]henicosa-1(20),2,4,6,8,10,12,15,17(21),18-decaene

14,14-dimethylpentacyclo[10.7.2.02,7.09,20.017,21]henicosa-1(20),2,4,6,8,10,12,15,17(21),18-decaene (PubChem CID 123333566) has the molecular formula C23H18 and a molecular weight of 294.40 g/mol. Its IUPAC name is 14,14-dimethylpentacyclo[10.7.2.02,7.09,20.017,21]henicosa-1(20),2,4,6,8,10,12,15,17(21),18-decaene.

Molecular Properties

Compound Name14,14-dimethylpentacyclo[10.7.2.02,7.09,20.017,21]henicosa-1(20),2,4,6,8,10,12,15,17(21),18-decaene
PubChem CID123333566
Molecular FormulaC23H18
Molecular Weight294.40 g/mol
Exact Mass294.14
IUPAC Name14,14-dimethylpentacyclo[10.7.2.02,7.09,20.017,21]henicosa-1(20),2,4,6,8,10,12,15,17(21),18-decaene
SMILESCC1(C)C=Cc2ccc3c4ccccc4cc4ccc(c2c43)=C1
InChIInChI=1S/C23H18/c1-23(2)12-11-15-9-10-20-19-6-4-3-5-16(19)13-17-7-8-18(14-23)21(15)22(17)20/h3-14H,1-2H3
InChIKeyBIEOXHGIHAJOKF-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.40
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylbenzo[a]pyrene
CID 21125420
nonacyclo[14.14.2.02,11.03,8.04,29.012,32.019,31.021,30.022,27]dotriaconta-1(31),2(11),3(8),4,6,9,12,14,16(32),17,19,21(30),22,24,26,28-hexadecaene
CID 21083013
octacyclo[19.7.1.12,6.03,20.04,17.05,14.08,13.025,29]triaconta-1(28),2(30),3(20),4(17),5(14),6,8,10,12,15,18,21,23,25(29),26-pentadecaene
CID 21082965
benzo[a]pyrene;fluoranthene;naphthalene;phenanthrene;pyrene
CID 159525445
heptacyclo[16.12.0.02,15.03,12.04,9.020,29.021,26]triaconta-1(30),2(15),3(12),4,6,8,10,13,16,18,20(29),21,23,25,27-pentadecaene
CID 155637443
ethane;hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene
CID 90911318
nonacyclo[14.14.2.02,11.03,8.04,29.012,32.019,31.021,30.023,28]dotriaconta-1(31),2(11),3(8),4,6,9,12,14,16(32),17,19,21,23,25,27,29-hexadecaene
CID 21082945
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016
decacyclo[22.11.1.02,22.03,19.04,12.05,35.06,11.013,18.025,30.032,36]hexatriaconta-1,3(19),4(12),5(35),6,8,10,13,15,17,20,22,24(36),25,27,29,31,33-octadecaene
CID 635064
heptacyclo[12.12.0.02,11.03,8.04,25.017,26.019,24]hexacosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21,23,25-tridecaene
CID 6455215
dodecacyclo[20.16.0.02,19.03,16.04,13.05,38.06,35.07,12.08,33.024,37.027,36.029,34]octatriaconta-1(38),2(19),3(16),4(13),5,7,9,11,14,17,20,22,24(37),25,27(36),28,30,32,34-nonadecaene
CID 21082989
heptacyclo[16.12.0.02,11.03,8.012,17.021,30.023,28]triaconta-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-pentadecaene
CID 164666450

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethylpentacyclo[10.7.2.02,7.09,20.017,21]henicosa-1(20),2,4,6,8,10,12,15,17(21),18-decaene?
The IUPAC name of 14,14-dimethylpentacyclo[10.7.2.02,7.09,20.017,21]henicosa-1(20),2,4,6,8,10,12,15,17(21),18-decaene (CID 123333566) is 14,14-dimethylpentacyclo[10.7.2.02,7.09,20.017,21]henicosa-1(20),2,4,6,8,10,12,15,17(21),18-decaene.
What is the SMILES notation for 14,14-dimethylpentacyclo[10.7.2.02,7.09,20.017,21]henicosa-1(20),2,4,6,8,10,12,15,17(21),18-decaene?
The canonical SMILES for 14,14-dimethylpentacyclo[10.7.2.02,7.09,20.017,21]henicosa-1(20),2,4,6,8,10,12,15,17(21),18-decaene is CC1(C)C=Cc2ccc3c4ccccc4cc4ccc(c2c43)=C1.
What is the InChIKey of 14,14-dimethylpentacyclo[10.7.2.02,7.09,20.017,21]henicosa-1(20),2,4,6,8,10,12,15,17(21),18-decaene?
The InChIKey is BIEOXHGIHAJOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18/c1-23(2)12-11-15-9-10-20-19-6-4-3-5-16(19)13-17-7-8-18(14-23)21(15)22(17)20/h3-14H,1-2H3.
What are the key properties of 14,14-dimethylpentacyclo[10.7.2.02,7.09,20.017,21]henicosa-1(20),2,4,6,8,10,12,15,17(21),18-decaene?
14,14-dimethylpentacyclo[10.7.2.02,7.09,20.017,21]henicosa-1(20),2,4,6,8,10,12,15,17(21),18-decaene has a molecular weight of 294.40 g/mol, XLogP of 5.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethylpentacyclo[10.7.2.02,7.09,20.017,21]henicosa-1(20),2,4,6,8,10,12,15,17(21),18-decaene is sourced from PubChem (CID 123333566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).