10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene

C40H38 — CID 102159942

IUPAC10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene
SMILESCC1(C)CCc2cc3c(cc2-c2ccc(-c4ccccc4)cc21)CCC(C)(C)c1cc(-c2ccccc2)ccc1-3
InChIInChI=1S/C40H38/c1-39(2)21-19-31-23-36-32(24-35(31)33-17-15-29(25-37(33)39)27-11-7-5-8-12-27)20-22-40(3,4)38-26-30(16-18-34(36)38)28-13-9-6-10-14-28/h5-18,23-26H,19-22H2,1-4H3
InChIKeyLLKGPEAGUPNKHS-UHFFFAOYSA-N
MW518.74 g/mol
LogP10.80
Rot. Bonds2

About 10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene

10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene (PubChem CID 102159942) has the molecular formula C40H38 and a molecular weight of 518.74 g/mol. Its IUPAC name is 10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene.

Molecular Properties

Compound Name10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene
PubChem CID102159942
Molecular FormulaC40H38
Molecular Weight518.74 g/mol
Exact Mass518.30
IUPAC Name10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene
SMILESCC1(C)CCc2cc3c(cc2-c2ccc(-c4ccccc4)cc21)CCC(C)(C)c1cc(-c2ccccc2)ccc1-3
InChIInChI=1S/C40H38/c1-39(2)21-19-31-23-36-32(24-35(31)33-17-15-29(25-37(33)39)27-11-7-5-8-12-27)20-22-40(3,4)38-26-30(16-18-34(36)38)28-13-9-6-10-14-28/h5-18,23-26H,19-22H2,1-4H3
InChIKeyLLKGPEAGUPNKHS-UHFFFAOYSA-N
XLogP10.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.74
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene with MolForge

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Related Compounds

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CID 59217114
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
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CID 163494691
2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane
CID 91153599
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
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CID 171735947
3,3,5,5-tetramethyl-6,7-dihydro-2H-s-indacen-1-one
CID 165353647
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
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Frequently Asked Questions

What is the IUPAC name of 10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene?
The IUPAC name of 10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene (CID 102159942) is 10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene.
What is the SMILES notation for 10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene?
The canonical SMILES for 10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene is CC1(C)CCc2cc3c(cc2-c2ccc(-c4ccccc4)cc21)CCC(C)(C)c1cc(-c2ccccc2)ccc1-3.
What is the InChIKey of 10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene?
The InChIKey is LLKGPEAGUPNKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38/c1-39(2)21-19-31-23-36-32(24-35(31)33-17-15-29(25-37(33)39)27-11-7-5-8-12-27)20-22-40(3,4)38-26-30(16-18-34(36)38)28-13-9-6-10-14-28/h5-18,23-26H,19-22H2,1-4H3.
What are the key properties of 10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene?
10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene has a molecular weight of 518.74 g/mol, XLogP of 10.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,22,22-tetramethyl-7,19-diphenylpentacyclo[13.9.0.03,13.04,9.016,21]tetracosa-1,3(13),4(9),5,7,14,16(21),17,19-nonaene is sourced from PubChem (CID 102159942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).