4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene

C63H44 — CID 171742930

IUPAC4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3ccc5c6c(ccc(c36)C4(c3ccccc3)c3ccccc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)cc21
InChIInChI=1S/C63H44/c1-61(2)53-29-17-15-27-47(53)49-33-31-42(40-58(49)61)41-32-36-55-52(39-41)51-35-34-50-48-28-16-18-30-54(48)62(43-19-7-3-8-20-43,44-21-9-4-10-22-44)56-37-38-57(60(51)59(50)56)63(55,45-23-11-5-12-24-45)46-25-13-6-14-26-46/h3-40H,1-2H3
InChIKeyPZSAIPDTRATFNX-UHFFFAOYSA-N
MW801.05 g/mol
LogP15.54
Rot. Bonds5

About 4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene

4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene (PubChem CID 171742930) has the molecular formula C63H44 and a molecular weight of 801.05 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene
PubChem CID171742930
Molecular FormulaC63H44
Molecular Weight801.05 g/mol
Exact Mass800.34
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3ccc5c6c(ccc(c36)C4(c3ccccc3)c3ccccc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)cc21
InChIInChI=1S/C63H44/c1-61(2)53-29-17-15-27-47(53)49-33-31-42(40-58(49)61)41-32-36-55-52(39-41)51-35-34-50-48-28-16-18-30-54(48)62(43-19-7-3-8-20-43,44-21-9-4-10-22-44)56-37-38-57(60(51)59(50)56)63(55,45-23-11-5-12-24-45)46-25-13-6-14-26-46/h3-40H,1-2H3
InChIKeyPZSAIPDTRATFNX-UHFFFAOYSA-N
XLogP15.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.05
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene with MolForge

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Related Compounds

3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 139519919
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142481064
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972931
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene
CID 140873520
3,9,9-triphenylfluorene
CID 140844354
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118298327
N,N-bis[3-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 154972916
2,6-bis(9,9-dimethylfluoren-3-yl)spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene]
CID 123740748
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline
CID 146576437
N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480618

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene (CID 171742930) is 4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3ccc5c6c(ccc(c36)C4(c3ccccc3)c3ccccc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)cc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene?
The InChIKey is PZSAIPDTRATFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44/c1-61(2)53-29-17-15-27-47(53)49-33-31-42(40-58(49)61)41-32-36-55-52(39-41)51-35-34-50-48-28-16-18-30-54(48)62(43-19-7-3-8-20-43,44-21-9-4-10-22-44)56-37-38-57(60(51)59(50)56)63(55,45-23-11-5-12-24-45)46-25-13-6-14-26-46/h3-40H,1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene?
4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene has a molecular weight of 801.05 g/mol, XLogP of 15.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene is sourced from PubChem (CID 171742930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).