17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene

C50H30 — CID 164754288

IUPAC17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3c4ccc5ccc6ccccc6c5c4c4c(ccc5ccc6ccccc6c54)c23)cc1
InChIInChI=1S/C50H30/c1-3-15-33(16-4-1)45-39-21-11-12-22-40(39)46(34-17-5-2-6-18-34)50-42-30-28-36-26-24-32-14-8-10-20-38(32)44(36)48(42)47-41(49(45)50)29-27-35-25-23-31-13-7-9-19-37(31)43(35)47/h1-30H
InChIKeyVKJCZZYYTAHZKX-UHFFFAOYSA-N
MW630.79 g/mol
LogP14.25
Rot. Bonds2

About 17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene

17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene (PubChem CID 164754288) has the molecular formula C50H30 and a molecular weight of 630.79 g/mol. Its IUPAC name is 17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene.

Molecular Properties

Compound Name17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene
PubChem CID164754288
Molecular FormulaC50H30
Molecular Weight630.79 g/mol
Exact Mass630.23
IUPAC Name17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3c4ccc5ccc6ccccc6c5c4c4c(ccc5ccc6ccccc6c54)c23)cc1
InChIInChI=1S/C50H30/c1-3-15-33(16-4-1)45-39-21-11-12-22-40(39)46(34-17-5-2-6-18-34)50-42-30-28-36-26-24-32-14-8-10-20-38(32)44(36)48(42)47-41(49(45)50)29-27-35-25-23-31-13-7-9-19-37(31)43(35)47/h1-30H
InChIKeyVKJCZZYYTAHZKX-UHFFFAOYSA-N
XLogP14.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 514.25
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 17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene?
The IUPAC name of 17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene (CID 164754288) is 17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene.
What is the SMILES notation for 17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene?
The canonical SMILES for 17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c4ccc5ccc6ccccc6c5c4c4c(ccc5ccc6ccccc6c54)c23)cc1.
What is the InChIKey of 17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene?
The InChIKey is VKJCZZYYTAHZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30/c1-3-15-33(16-4-1)45-39-21-11-12-22-40(39)46(34-17-5-2-6-18-34)50-42-30-28-36-26-24-32-14-8-10-20-38(32)44(36)48(42)47-41(49(45)50)29-27-35-25-23-31-13-7-9-19-37(31)43(35)47/h1-30H.
What are the key properties of 17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene?
17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene has a molecular weight of 630.79 g/mol, XLogP of 14.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene is sourced from PubChem (CID 164754288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).