14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene

C36H20 — CID 123540206

IUPAC14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene
SMILESc1ccc(-c2c3c(cc4cc5ccccc5cc24)-c2cc4cccc5ccc6ccc-3c2c6c54)cc1
InChIInChI=1S/C36H20/c1-2-7-21(8-3-1)33-29-18-25-10-5-4-9-24(25)17-27(29)20-31-30-19-26-12-6-11-22-13-14-23-15-16-28(35(31)33)36(30)34(23)32(22)26/h1-20H
InChIKeyGYCBRLDPKDRVAM-UHFFFAOYSA-N
MW452.56 g/mol
LogP10.20
Rot. Bonds1

About 14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene

14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene (PubChem CID 123540206) has the molecular formula C36H20 and a molecular weight of 452.56 g/mol. Its IUPAC name is 14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene.

Molecular Properties

Compound Name14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene
PubChem CID123540206
Molecular FormulaC36H20
Molecular Weight452.56 g/mol
Exact Mass452.16
IUPAC Name14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene
SMILESc1ccc(-c2c3c(cc4cc5ccccc5cc24)-c2cc4cccc5ccc6ccc-3c2c6c54)cc1
InChIInChI=1S/C36H20/c1-2-7-21(8-3-1)33-29-18-25-10-5-4-9-24(25)17-27(29)20-31-30-19-26-12-6-11-22-13-14-23-15-16-28(35(31)33)36(30)34(23)32(22)26/h1-20H
InChIKeyGYCBRLDPKDRVAM-UHFFFAOYSA-N
XLogP10.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 510.20
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 14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene with MolForge

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Related Compounds

12-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene
CID 123802198
3,26-bis(4-phenylphenyl)undecacyclo[36.3.1.02,27.04,25.06,23.07,16.09,14.017,22.028,41.031,40.034,39]dotetraconta-1(42),2,4(25),5,7,9,11,13,15,17,19,21,23,26,28(41),29,31(40),32,34(39),35,37-henicosaene
CID 123212258
2,3-dinaphthalen-1-yl-1-phenylanthracene
CID 151512335
2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
CID 173204164
3,26-bis(4-methylphenyl)-10-phenylundecacyclo[36.3.1.02,27.04,25.06,23.07,12.013,22.015,20.028,41.031,40.034,39]dotetraconta-1(42),2,4(25),5,7(12),8,10,13,15,17,19,21,23,26,28(41),29,31(40),32,34(39),35,37-henicosaene
CID 123786724
3,14-diphenyloctacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 123826742
undecacyclo[36.3.1.02,27.04,25.06,23.07,12.013,22.015,20.028,41.031,40.034,39]dotetraconta-1(42),2,4,6(23),7,9,11,13,15,17,19,21,24,26,28(41),29,31(40),32,34(39),35,37-henicosaene;undecacyclo[36.3.1.02,27.04,25.06,23.07,16.09,14.017,22.028,41.031,40.034,39]dotetraconta-1(42),2,4,6(23),7,9,11,13,15,17,19,21,24,26,28(41),29,31(40),32,34(39),35,37-henicosaene
CID 162016874
1,2-diphenylpentacene
CID 22247158
1-(2-phenylanthracen-1-yl)triphenylene
CID 166545008
benzo[a]pyrene;hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;naphtho[1,2-b]phenanthrene
CID 165012691
2-(4-phenylnaphthalen-1-yl)pyrene
CID 140737016
4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene
CID 58672227

Frequently Asked Questions

What is the IUPAC name of 14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene?
The IUPAC name of 14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene (CID 123540206) is 14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene.
What is the SMILES notation for 14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene?
The canonical SMILES for 14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene is c1ccc(-c2c3c(cc4cc5ccccc5cc24)-c2cc4cccc5ccc6ccc-3c2c6c54)cc1.
What is the InChIKey of 14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene?
The InChIKey is GYCBRLDPKDRVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20/c1-2-7-21(8-3-1)33-29-18-25-10-5-4-9-24(25)17-27(29)20-31-30-19-26-12-6-11-22-13-14-23-15-16-28(35(31)33)36(30)34(23)32(22)26/h1-20H.
What are the key properties of 14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene?
14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene has a molecular weight of 452.56 g/mol, XLogP of 10.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene is sourced from PubChem (CID 123540206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).