octacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene

C32H18 — CID 139946483

IUPACoctacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene
SMILESc1ccc2c(c1)-c1cccc3cc4c(ccc5c6ccccc6c6ccccc6c45)c-2c13
InChIInChI=1S/C32H18/c1-2-11-22-20(9-1)21-10-3-5-13-25(21)31-27(22)16-17-28-29(31)18-19-8-7-15-24-23-12-4-6-14-26(23)32(28)30(19)24/h1-18H
InChIKeyZBWSVHPNSMOBTK-UHFFFAOYSA-N
MW402.50 g/mol
LogP9.10
Rot. Bonds

About octacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene

octacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene (PubChem CID 139946483) has the molecular formula C32H18 and a molecular weight of 402.50 g/mol. Its IUPAC name is octacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene.

Molecular Properties

Compound Nameoctacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene
PubChem CID139946483
Molecular FormulaC32H18
Molecular Weight402.50 g/mol
Exact Mass402.14
IUPAC Nameoctacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene
SMILESc1ccc2c(c1)-c1cccc3cc4c(ccc5c6ccccc6c6ccccc6c45)c-2c13
InChIInChI=1S/C32H18/c1-2-11-22-20(9-1)21-10-3-5-13-25(21)31-27(22)16-17-28-29(31)18-19-8-7-15-24-23-12-4-6-14-26(23)32(28)30(19)24/h1-18H
InChIKeyZBWSVHPNSMOBTK-UHFFFAOYSA-N
XLogP9.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 59.10
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'}

Analyze octacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene with MolForge

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Related Compounds

15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene
CID 87763316
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
nonacyclo[16.13.2.12,6.08,13.015,32.019,24.025,33.026,31.014,34]tetratriaconta-1(32),2,4,6,8,10,12,14(34),15,17,19,21,23,25(33),26,28,30-heptadecaene
CID 150432645
heptacyclo[18.6.2.02,15.03,8.09,14.017,27.024,28]octacosa-1(27),2(15),3,5,7,9,11,13,16,18,20(28),21,23,25-tetradecaene
CID 15820916
2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene
CID 166134124
21,28-dinaphthalen-1-ylheptacyclo[16.12.0.02,11.03,8.012,17.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,12,14,16,18,20,22,24,26,28-pentadecaene
CID 123857565
3-(2-phenylphenyl)heptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene
CID 59642854
nonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene
CID 166446594
1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene
CID 139892613
octacyclo[22.12.0.02,7.08,17.010,15.018,23.025,30.031,36]hexatriaconta-1(24),2,4,6,8,10,12,14,16,18,20,22,25,27,29,31,33,35-octadecaene
CID 162413036
1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene
CID 166133840
hexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene
CID 21480

Frequently Asked Questions

What is the IUPAC name of octacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene?
The IUPAC name of octacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene (CID 139946483) is octacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene.
What is the SMILES notation for octacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene?
The canonical SMILES for octacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene is c1ccc2c(c1)-c1cccc3cc4c(ccc5c6ccccc6c6ccccc6c45)c-2c13.
What is the InChIKey of octacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene?
The InChIKey is ZBWSVHPNSMOBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18/c1-2-11-22-20(9-1)21-10-3-5-13-25(21)31-27(22)16-17-28-29(31)18-19-8-7-15-24-23-12-4-6-14-26(23)32(28)30(19)24/h1-18H.
What are the key properties of octacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene?
octacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene has a molecular weight of 402.50 g/mol, XLogP of 9.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene is sourced from PubChem (CID 139946483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).