7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene

About 7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene

7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene (PubChem CID 59080775) has the molecular formula C82H48 and a molecular weight of 1033.29 g/mol. Its IUPAC name is 7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene.

Molecular Properties

Compound Name	7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene
PubChem CID	59080775
Molecular Formula	C82H48
Molecular Weight	1033.29 g/mol
Exact Mass	1032.38
IUPAC Name	7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene
SMILES	c1ccc(-c2ccccc2-c2c3cccc4c3c(c3cccc5c(-c6ccccc6)c6c7ccc(-c8ccccc8)c8c(-c9ccccc9)ccc(c87)c6c4c53)c3c4ccc(-c5ccccc5)c5c(-c6ccccc6)ccc(c23)c54)cc1
InChI	InChI=1S/C82H48/c1-7-23-49(24-8-1)55-35-19-20-36-60(55)72-62-38-22-40-64-76(62)79(82-68-48-44-59(53-31-15-5-16-32-53)71-57(51-27-11-3-12-28-51)42-46-66(74(68)71)80(72)82)63-39-21-37-61-69(54-33-17-6-18-34-54)77-65-45-41-56(50-25-9-2-10-26-50)70-58(52-29-13-4-14-30-52)43-47-67(73(65)70)81(77)78(64)75(61)63/h1-48H
InChIKey	BWTGJQWYBZETNB-UHFFFAOYSA-N
XLogP	23.20
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	7
Heavy Atoms	82
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1033.29
LogP ≤ 5	23.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene?

The IUPAC name of 7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene (CID 59080775) is 7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene.

What is the SMILES notation for 7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene?

The canonical SMILES for 7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene is c1ccc(-c2ccccc2-c2c3cccc4c3c(c3cccc5c(-c6ccccc6)c6c7ccc(-c8ccccc8)c8c(-c9ccccc9)ccc(c87)c6c4c53)c3c4ccc(-c5ccccc5)c5c(-c6ccccc6)ccc(c23)c54)cc1.

What is the InChIKey of 7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene?

The InChIKey is BWTGJQWYBZETNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H48/c1-7-23-49(24-8-1)55-35-19-20-36-60(55)72-62-38-22-40-64-76(62)79(82-68-48-44-59(53-31-15-5-16-32-53)71-57(51-27-11-3-12-28-51)42-46-66(74(68)71)80(72)82)63-39-21-37-61-69(54-33-17-6-18-34-54)77-65-45-41-56(50-25-9-2-10-26-50)70-58(52-29-13-4-14-30-52)43-47-67(73(65)70)81(77)78(64)75(61)63/h1-48H.

What are the key properties of 7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene?

7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene has a molecular weight of 1033.29 g/mol, XLogP of 23.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene is sourced from PubChem (CID 59080775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).