9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene

C63H42 — CID 59217347

IUPAC9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c2c2c(c4c3C(c3ccccc3)(c3ccccc3)c3ccccc3-4)C(c3ccccc3)(c3ccccc3)c3ccccc3-2)cc1
InChIInChI=1S/C63H42/c1-7-25-43(26-8-1)61(44-27-9-2-10-28-44)52-40-22-19-37-49(52)55-58(61)56-50-38-20-23-41-53(50)62(45-29-11-3-12-30-45,46-31-13-4-14-32-46)60(56)57-51-39-21-24-42-54(51)63(59(55)57,47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-42H
InChIKeyUOOJIJVGHYBPFR-UHFFFAOYSA-N
MW799.03 g/mol
LogP14.78
Rot. Bonds6

About 9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene

9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene (PubChem CID 59217347) has the molecular formula C63H42 and a molecular weight of 799.03 g/mol. Its IUPAC name is 9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene.

Molecular Properties

Compound Name9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
PubChem CID59217347
Molecular FormulaC63H42
Molecular Weight799.03 g/mol
Exact Mass798.33
IUPAC Name9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c2c2c(c4c3C(c3ccccc3)(c3ccccc3)c3ccccc3-4)C(c3ccccc3)(c3ccccc3)c3ccccc3-2)cc1
InChIInChI=1S/C63H42/c1-7-25-43(26-8-1)61(44-27-9-2-10-28-44)52-40-22-19-37-49(52)55-58(61)56-50-38-20-23-41-53(50)62(45-29-11-3-12-30-45,46-31-13-4-14-32-46)60(56)57-51-39-21-24-42-54(51)63(59(55)57,47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-42H
InChIKeyUOOJIJVGHYBPFR-UHFFFAOYSA-N
XLogP14.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.03
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene with MolForge

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Related Compounds

9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
4-methyl-9,9-diphenylfluorene
CID 123595050
1-fluoro-9,9-diphenylfluorene
CID 170080544
4-methyl-9-(2-methylphenyl)-9-phenylfluorene
CID 145360950
1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene
CID 161028851
CID 102532137
CID 102532137
(9,9-diphenylfluoren-4-yl)boronic acid
CID 119081433
1-(4-bromophenyl)-9,9-diphenylfluorene
CID 172845574
CID 158107277
CID 158107277
(9,9-diphenylfluoren-4-yl)-diphenylborane
CID 123339306
9,9-diphenylfluorene;propane
CID 158205050

Frequently Asked Questions

What is the IUPAC name of 9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?
The IUPAC name of 9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene (CID 59217347) is 9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene.
What is the SMILES notation for 9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?
The canonical SMILES for 9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3c2c2c(c4c3C(c3ccccc3)(c3ccccc3)c3ccccc3-4)C(c3ccccc3)(c3ccccc3)c3ccccc3-2)cc1.
What is the InChIKey of 9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?
The InChIKey is UOOJIJVGHYBPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42/c1-7-25-43(26-8-1)61(44-27-9-2-10-28-44)52-40-22-19-37-49(52)55-58(61)56-50-38-20-23-41-53(50)62(45-29-11-3-12-30-45,46-31-13-4-14-32-46)60(56)57-51-39-21-24-42-54(51)63(59(55)57,47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-42H.
What are the key properties of 9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene?
9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene has a molecular weight of 799.03 g/mol, XLogP of 14.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene is sourced from PubChem (CID 59217347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).