4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene

C60H40 — CID 177480216

IUPAC4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
SMILESc1ccc(-c2cc3cc(c2)-c2cc(-c4ccccc4)cc(c2)-c2cc(-c4ccccc4)cc(c2)-c2cc(-c4ccccc4)cc(c2)-c2cc(-c4ccccc4)cc-3c2)cc1
InChIInChI=1S/C60H40/c1-6-16-41(17-7-1)46-26-51-36-52(27-46)54-29-48(43-20-10-3-11-21-43)31-56(38-54)58-33-50(45-24-14-5-15-25-45)35-60(40-58)59-34-49(44-22-12-4-13-23-44)32-57(39-59)55-30-47(28-53(51)37-55)42-18-8-2-9-19-42/h1-40H
InChIKeyGHIUDGLLVHGDET-UHFFFAOYSA-N
MW760.98 g/mol
LogP16.67
Rot. Bonds5

About 4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene

4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene (PubChem CID 177480216) has the molecular formula C60H40 and a molecular weight of 760.98 g/mol. Its IUPAC name is 4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene.

Molecular Properties

Compound Name4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
PubChem CID177480216
Molecular FormulaC60H40
Molecular Weight760.98 g/mol
Exact Mass760.31
IUPAC Name4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
SMILESc1ccc(-c2cc3cc(c2)-c2cc(-c4ccccc4)cc(c2)-c2cc(-c4ccccc4)cc(c2)-c2cc(-c4ccccc4)cc(c2)-c2cc(-c4ccccc4)cc-3c2)cc1
InChIInChI=1S/C60H40/c1-6-16-41(17-7-1)46-26-51-36-52(27-46)54-29-48(43-20-10-3-11-21-43)31-56(38-54)58-33-50(45-24-14-5-15-25-45)35-60(40-58)59-34-49(44-22-12-4-13-23-44)32-57(39-59)55-30-47(28-53(51)37-55)42-18-8-2-9-19-42/h1-40H
InChIKeyGHIUDGLLVHGDET-UHFFFAOYSA-N
XLogP16.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.98
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene with MolForge

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Related Compounds

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1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
ethane;1,3,5-triphenylbenzene
CID 142123051
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
benzene;tris(1,1'-biphenyl)
CID 162155747
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427

Frequently Asked Questions

What is the IUPAC name of 4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene?
The IUPAC name of 4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene (CID 177480216) is 4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene.
What is the SMILES notation for 4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene?
The canonical SMILES for 4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene is c1ccc(-c2cc3cc(c2)-c2cc(-c4ccccc4)cc(c2)-c2cc(-c4ccccc4)cc(c2)-c2cc(-c4ccccc4)cc(c2)-c2cc(-c4ccccc4)cc-3c2)cc1.
What is the InChIKey of 4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene?
The InChIKey is GHIUDGLLVHGDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40/c1-6-16-41(17-7-1)46-26-51-36-52(27-46)54-29-48(43-20-10-3-11-21-43)31-56(38-54)58-33-50(45-24-14-5-15-25-45)35-60(40-58)59-34-49(44-22-12-4-13-23-44)32-57(39-59)55-30-47(28-53(51)37-55)42-18-8-2-9-19-42/h1-40H.
What are the key properties of 4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene?
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene has a molecular weight of 760.98 g/mol, XLogP of 16.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene is sourced from PubChem (CID 177480216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).