10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene

C60H36Br2 — CID 155342201

IUPAC10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene
SMILESBrc1cc2c3ccccc3c3cc(Br)cc4c5c(-c6ccccc6)c(-c6cc(-c7ccccc7)ccc6-c6ccc(-c7ccccc7)cc6)cc(-c6ccccc6)c5c(c1)c2c34
InChIInChI=1S/C60H36Br2/c61-44-32-51-47-23-13-14-24-48(47)52-33-45(62)35-55-59(52)58(51)54(34-44)57-49(40-19-9-3-10-20-40)36-53(56(60(55)57)42-21-11-4-12-22-42)50-31-43(38-17-7-2-8-18-38)29-30-46(50)41-27-25-39(26-28-41)37-15-5-1-6-16-37/h1-36H
InChIKeyRMOMTSDNVUKKPJ-UHFFFAOYSA-N
MW916.76 g/mol
LogP18.42
Rot. Bonds6

About 10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene

10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene (PubChem CID 155342201) has the molecular formula C60H36Br2 and a molecular weight of 916.76 g/mol. Its IUPAC name is 10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene.

Molecular Properties

Compound Name10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene
PubChem CID155342201
Molecular FormulaC60H36Br2
Molecular Weight916.76 g/mol
Exact Mass914.12
IUPAC Name10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene
SMILESBrc1cc2c3ccccc3c3cc(Br)cc4c5c(-c6ccccc6)c(-c6cc(-c7ccccc7)ccc6-c6ccc(-c7ccccc7)cc6)cc(-c6ccccc6)c5c(c1)c2c34
InChIInChI=1S/C60H36Br2/c61-44-32-51-47-23-13-14-24-48(47)52-33-45(62)35-55-59(52)58(51)54(34-44)57-49(40-19-9-3-10-20-40)36-53(56(60(55)57)42-21-11-4-12-22-42)50-31-43(38-17-7-2-8-18-38)29-30-46(50)41-27-25-39(26-28-41)37-15-5-1-6-16-37/h1-36H
InChIKeyRMOMTSDNVUKKPJ-UHFFFAOYSA-N
XLogP18.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.76
LogP ≤ 518.42
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 10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene with MolForge

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Related Compounds

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CID 123758696
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22,33-diiodo-3,7,14,18-tetraphenylnonacyclo[18.14.2.02,19.04,17.05,10.011,16.024,36.025,30.031,35]hexatriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,31(35),32-octadecaene
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Frequently Asked Questions

What is the IUPAC name of 10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene?
The IUPAC name of 10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene (CID 155342201) is 10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene.
What is the SMILES notation for 10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene?
The canonical SMILES for 10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene is Brc1cc2c3ccccc3c3cc(Br)cc4c5c(-c6ccccc6)c(-c6cc(-c7ccccc7)ccc6-c6ccc(-c7ccccc7)cc6)cc(-c6ccccc6)c5c(c1)c2c34.
What is the InChIKey of 10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene?
The InChIKey is RMOMTSDNVUKKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36Br2/c61-44-32-51-47-23-13-14-24-48(47)52-33-45(62)35-55-59(52)58(51)54(34-44)57-49(40-19-9-3-10-20-40)36-53(56(60(55)57)42-21-11-4-12-22-42)50-31-43(38-17-7-2-8-18-38)29-30-46(50)41-27-25-39(26-28-41)37-15-5-1-6-16-37/h1-36H.
What are the key properties of 10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene?
10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene has a molecular weight of 916.76 g/mol, XLogP of 18.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene is sourced from PubChem (CID 155342201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).