9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene

C61H54 — CID 59027602

IUPAC9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene
SMILESCc1ccc2c(c1)C(Cc1ccccc1)(CC1(CC3(Cc4ccccc4)c4cc(C)ccc4-c4ccc(C)cc43)c3cc(C)ccc3-c3ccc(C)cc31)c1cc(C)ccc1-2
InChIInChI=1S/C61H54/c1-39-17-23-47-48-24-18-40(2)30-54(48)59(53(47)29-39,35-45-13-9-7-10-14-45)37-61(57-33-43(5)21-27-51(57)52-28-22-44(6)34-58(52)61)38-60(36-46-15-11-8-12-16-46)55-31-41(3)19-25-49(55)50-26-20-42(4)32-56(50)60/h7-34H,35-38H2,1-6H3
InChIKeyBMTMQZPSAZXKTI-UHFFFAOYSA-N
MW787.10 g/mol
LogP15.00
Rot. Bonds8

About 9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene

9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene (PubChem CID 59027602) has the molecular formula C61H54 and a molecular weight of 787.10 g/mol. Its IUPAC name is 9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene.

Molecular Properties

Compound Name9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene
PubChem CID59027602
Molecular FormulaC61H54
Molecular Weight787.10 g/mol
Exact Mass786.42
IUPAC Name9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene
SMILESCc1ccc2c(c1)C(Cc1ccccc1)(CC1(CC3(Cc4ccccc4)c4cc(C)ccc4-c4ccc(C)cc43)c3cc(C)ccc3-c3ccc(C)cc31)c1cc(C)ccc1-2
InChIInChI=1S/C61H54/c1-39-17-23-47-48-24-18-40(2)30-54(48)59(53(47)29-39,35-45-13-9-7-10-14-45)37-61(57-33-43(5)21-27-51(57)52-28-22-44(6)34-58(52)61)38-60(36-46-15-11-8-12-16-46)55-31-41(3)19-25-49(55)50-26-20-42(4)32-56(50)60/h7-34H,35-38H2,1-6H3
InChIKeyBMTMQZPSAZXKTI-UHFFFAOYSA-N
XLogP15.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.10
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene
CID 59378942
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-[4-(N-methylanilino)phenyl]phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;N-[4-[9,9-dimethyl-7-[4-(N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline;bis(prop-1-ene)
CID 158933288
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2,7,9,9-tetramethylfluorene
CID 22951928
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine
CID 58151350
5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine
CID 118000276
9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene
CID 163799471
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
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
9,9-bis(azidomethyl)-2,7-dimethylfluorene
CID 118552963

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene?
The IUPAC name of 9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene (CID 59027602) is 9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene.
What is the SMILES notation for 9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene?
The canonical SMILES for 9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene is Cc1ccc2c(c1)C(Cc1ccccc1)(CC1(CC3(Cc4ccccc4)c4cc(C)ccc4-c4ccc(C)cc43)c3cc(C)ccc3-c3ccc(C)cc31)c1cc(C)ccc1-2.
What is the InChIKey of 9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene?
The InChIKey is BMTMQZPSAZXKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H54/c1-39-17-23-47-48-24-18-40(2)30-54(48)59(53(47)29-39,35-45-13-9-7-10-14-45)37-61(57-33-43(5)21-27-51(57)52-28-22-44(6)34-58(52)61)38-60(36-46-15-11-8-12-16-46)55-31-41(3)19-25-49(55)50-26-20-42(4)32-56(50)60/h7-34H,35-38H2,1-6H3.
What are the key properties of 9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene?
9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene has a molecular weight of 787.10 g/mol, XLogP of 15.00, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene is sourced from PubChem (CID 59027602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).