2,7-bis[4-[(4-methylphenyl)-phenylmethyl]phenyl]-9,9-bis(non-1-en-2-yl)fluorene

C71H74 — CID 168811172

IUPAC2,7-bis[4-[(4-methylphenyl)-phenylmethyl]phenyl]-9,9-bis(non-1-en-2-yl)fluorene
SMILESC=C(CCCCCCC)C1(C(=C)CCCCCCC)c2cc(-c3ccc(C(c4ccccc4)c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3ccc(C(c4ccccc4)c4ccc(C)cc4)cc3)cc21
InChIInChI=1S/C71H74/c1-7-9-11-13-17-23-53(5)71(54(6)24-18-14-12-10-8-2)67-49-63(55-37-41-61(42-38-55)69(57-25-19-15-20-26-57)59-33-29-51(3)30-34-59)45-47-65(67)66-48-46-64(50-68(66)71)56-39-43-62(44-40-56)70(58-27-21-16-22-28-58)60-35-31-52(4)32-36-60/h15-16,19-22,25-50,69-70H,5-14,17-18,23-24H2,1-4H3
InChIKeyIJJJVSFHRZQOHL-UHFFFAOYSA-N
MW927.37 g/mol
LogP20.10
Rot. Bonds22

About 2,7-bis[4-[(4-methylphenyl)-phenylmethyl]phenyl]-9,9-bis(non-1-en-2-yl)fluorene

2,7-bis[4-[(4-methylphenyl)-phenylmethyl]phenyl]-9,9-bis(non-1-en-2-yl)fluorene (PubChem CID 168811172) has the molecular formula C71H74 and a molecular weight of 927.37 g/mol. Its IUPAC name is 2,7-bis[4-[(4-methylphenyl)-phenylmethyl]phenyl]-9,9-bis(non-1-en-2-yl)fluorene.

Molecular Properties

Compound Name2,7-bis[4-[(4-methylphenyl)-phenylmethyl]phenyl]-9,9-bis(non-1-en-2-yl)fluorene
PubChem CID168811172
Molecular FormulaC71H74
Molecular Weight927.37 g/mol
Exact Mass926.58
IUPAC Name2,7-bis[4-[(4-methylphenyl)-phenylmethyl]phenyl]-9,9-bis(non-1-en-2-yl)fluorene
SMILESC=C(CCCCCCC)C1(C(=C)CCCCCCC)c2cc(-c3ccc(C(c4ccccc4)c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3ccc(C(c4ccccc4)c4ccc(C)cc4)cc3)cc21
InChIInChI=1S/C71H74/c1-7-9-11-13-17-23-53(5)71(54(6)24-18-14-12-10-8-2)67-49-63(55-37-41-61(42-38-55)69(57-25-19-15-20-26-57)59-33-29-51(3)30-34-59)45-47-65(67)66-48-46-64(50-68(66)71)56-39-43-62(44-40-56)70(58-27-21-16-22-28-58)60-35-31-52(4)32-36-60/h15-16,19-22,25-50,69-70H,5-14,17-18,23-24H2,1-4H3
InChIKeyIJJJVSFHRZQOHL-UHFFFAOYSA-N
XLogP20.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.37
LogP ≤ 520.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-methylphenyl)-7-[4-(N-(4-methylphenyl)anilino)phenyl]-9-octanoylfluoren-9-yl]octan-1-one
CID 158452101
1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one
CID 140812401
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]
CID 155616798
1,4-dihexyl-2,5-bis[2-methyl-4-[[4-(3-methylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]benzene
CID 161236469
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene
CID 130409824
2-(4-butan-2-ylphenyl)-9,9-dioctyl-7-(2-phenylphenyl)fluorene
CID 59816926

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[4-[(4-methylphenyl)-phenylmethyl]phenyl]-9,9-bis(non-1-en-2-yl)fluorene?
The IUPAC name of 2,7-bis[4-[(4-methylphenyl)-phenylmethyl]phenyl]-9,9-bis(non-1-en-2-yl)fluorene (CID 168811172) is 2,7-bis[4-[(4-methylphenyl)-phenylmethyl]phenyl]-9,9-bis(non-1-en-2-yl)fluorene.
What is the SMILES notation for 2,7-bis[4-[(4-methylphenyl)-phenylmethyl]phenyl]-9,9-bis(non-1-en-2-yl)fluorene?
The canonical SMILES for 2,7-bis[4-[(4-methylphenyl)-phenylmethyl]phenyl]-9,9-bis(non-1-en-2-yl)fluorene is C=C(CCCCCCC)C1(C(=C)CCCCCCC)c2cc(-c3ccc(C(c4ccccc4)c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3ccc(C(c4ccccc4)c4ccc(C)cc4)cc3)cc21.
What is the InChIKey of 2,7-bis[4-[(4-methylphenyl)-phenylmethyl]phenyl]-9,9-bis(non-1-en-2-yl)fluorene?
The InChIKey is IJJJVSFHRZQOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H74/c1-7-9-11-13-17-23-53(5)71(54(6)24-18-14-12-10-8-2)67-49-63(55-37-41-61(42-38-55)69(57-25-19-15-20-26-57)59-33-29-51(3)30-34-59)45-47-65(67)66-48-46-64(50-68(66)71)56-39-43-62(44-40-56)70(58-27-21-16-22-28-58)60-35-31-52(4)32-36-60/h15-16,19-22,25-50,69-70H,5-14,17-18,23-24H2,1-4H3.
What are the key properties of 2,7-bis[4-[(4-methylphenyl)-phenylmethyl]phenyl]-9,9-bis(non-1-en-2-yl)fluorene?
2,7-bis[4-[(4-methylphenyl)-phenylmethyl]phenyl]-9,9-bis(non-1-en-2-yl)fluorene has a molecular weight of 927.37 g/mol, XLogP of 20.10, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[4-[(4-methylphenyl)-phenylmethyl]phenyl]-9,9-bis(non-1-en-2-yl)fluorene is sourced from PubChem (CID 168811172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).