9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane

C72H68 — CID 91472155

IUPAC9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
SMILESc1ccc(-c2ccccc2C2CC3C4CC(c5ccccc5-c5ccccc5)C5CCC6C(c7ccccc7-c7ccccc7)CC(C7CC(c8ccccc8-c8ccccc8)C8CCC2C8C37)C4C56)cc1
InChIInChI=1S/C72H68/c1-5-21-45(22-6-1)49-29-13-17-33-53(49)61-41-65-66-42-63(55-35-19-15-31-51(55)47-25-9-3-10-26-47)59-39-40-60-64(56-36-20-16-32-52(56)48-27-11-4-12-28-48)44-68(72(66)70(59)60)67-43-62(58-38-37-57(61)69(58)71(65)67)54-34-18-14-30-50(54)46-23-7-2-8-24-46/h1-36,57-72H,37-44H2
InChIKeyBCMCGZGQHYPGSY-UHFFFAOYSA-N
MW933.34 g/mol
LogP18.40
Rot. Bonds8

About 9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane

9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane (PubChem CID 91472155) has the molecular formula C72H68 and a molecular weight of 933.34 g/mol. Its IUPAC name is 9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane.

Molecular Properties

Compound Name9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
PubChem CID91472155
Molecular FormulaC72H68
Molecular Weight933.34 g/mol
Exact Mass932.53
IUPAC Name9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
SMILESc1ccc(-c2ccccc2C2CC3C4CC(c5ccccc5-c5ccccc5)C5CCC6C(c7ccccc7-c7ccccc7)CC(C7CC(c8ccccc8-c8ccccc8)C8CCC2C8C37)C4C56)cc1
InChIInChI=1S/C72H68/c1-5-21-45(22-6-1)49-29-13-17-33-53(49)61-41-65-66-42-63(55-35-19-15-31-51(55)47-25-9-3-10-26-47)59-39-40-60-64(56-36-20-16-32-52(56)48-27-11-4-12-28-48)44-68(72(66)70(59)60)67-43-62(58-38-37-57(61)69(58)71(65)67)54-34-18-14-30-50(54)46-23-7-2-8-24-46/h1-36,57-72H,37-44H2
InChIKeyBCMCGZGQHYPGSY-UHFFFAOYSA-N
XLogP18.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.34
LogP ≤ 518.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane?
The IUPAC name of 9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane (CID 91472155) is 9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane.
What is the SMILES notation for 9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane?
The canonical SMILES for 9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane is c1ccc(-c2ccccc2C2CC3C4CC(c5ccccc5-c5ccccc5)C5CCC6C(c7ccccc7-c7ccccc7)CC(C7CC(c8ccccc8-c8ccccc8)C8CCC2C8C37)C4C56)cc1.
What is the InChIKey of 9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane?
The InChIKey is BCMCGZGQHYPGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H68/c1-5-21-45(22-6-1)49-29-13-17-33-53(49)61-41-65-66-42-63(55-35-19-15-31-51(55)47-25-9-3-10-26-47)59-39-40-60-64(56-36-20-16-32-52(56)48-27-11-4-12-28-48)44-68(72(66)70(59)60)67-43-62(58-38-37-57(61)69(58)71(65)67)54-34-18-14-30-50(54)46-23-7-2-8-24-46/h1-36,57-72H,37-44H2.
What are the key properties of 9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane?
9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane has a molecular weight of 933.34 g/mol, XLogP of 18.40, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane is sourced from PubChem (CID 91472155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).