9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene

C131H94 — CID 164755578

IUPAC9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene
SMILESCc1cc(C)c(-c2cccc3c2-c2c(C)cccc2C3(c2cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)c2cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)c(C)c1
InChIInChI=1S/C131H94/c1-87-63-89(3)128(90(4)64-87)125-60-34-62-127-130(125)129-88(2)35-29-61-126(129)131(127,123-83-119(103-56-30-52-99(65-103)115-73-107(91-36-13-5-14-37-91)69-108(74-115)92-38-15-6-16-39-92)81-120(84-123)104-57-31-53-100(66-104)116-75-109(93-40-17-7-18-41-93)70-110(76-116)94-42-19-8-20-43-94)124-85-121(105-58-32-54-101(67-105)117-77-111(95-44-21-9-22-45-95)71-112(78-117)96-46-23-10-24-47-96)82-122(86-124)106-59-33-55-102(68-106)118-79-113(97-48-25-11-26-49-97)72-114(80-118)98-50-27-12-28-51-98/h5-86H,1-4H3
InChIKeyXKCNNWGKQYUSCC-UHFFFAOYSA-N
MW1668.19 g/mol
LogP35.62
Rot. Bonds19

About 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene

9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene (PubChem CID 164755578) has the molecular formula C131H94 and a molecular weight of 1668.19 g/mol. Its IUPAC name is 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene.

Molecular Properties

Compound Name9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene
PubChem CID164755578
Molecular FormulaC131H94
Molecular Weight1668.19 g/mol
Exact Mass1666.74
IUPAC Name9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene
SMILESCc1cc(C)c(-c2cccc3c2-c2c(C)cccc2C3(c2cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)c2cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)c(C)c1
InChIInChI=1S/C131H94/c1-87-63-89(3)128(90(4)64-87)125-60-34-62-127-130(125)129-88(2)35-29-61-126(129)131(127,123-83-119(103-56-30-52-99(65-103)115-73-107(91-36-13-5-14-37-91)69-108(74-115)92-38-15-6-16-39-92)81-120(84-123)104-57-31-53-100(66-104)116-75-109(93-40-17-7-18-41-93)70-110(76-116)94-42-19-8-20-43-94)124-85-121(105-58-32-54-101(67-105)117-77-111(95-44-21-9-22-45-95)71-112(78-117)96-46-23-10-24-47-96)82-122(86-124)106-59-33-55-102(68-106)118-79-113(97-48-25-11-26-49-97)72-114(80-118)98-50-27-12-28-51-98/h5-86H,1-4H3
InChIKeyXKCNNWGKQYUSCC-UHFFFAOYSA-N
XLogP35.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001668.19
LogP ≤ 535.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene with MolForge

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Related Compounds

9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene
CID 171757298
9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene
CID 164755349
3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755543
9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene
CID 164755492
9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 164755351
9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene
CID 164755272
3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755332
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene
CID 164755273
3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol
CID 175617635
4-methyl-9,9-diphenylfluorene
CID 123595050
9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene
CID 164755528

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene?
The IUPAC name of 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene (CID 164755578) is 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene.
What is the SMILES notation for 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene?
The canonical SMILES for 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene is Cc1cc(C)c(-c2cccc3c2-c2c(C)cccc2C3(c2cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)c2cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)c(C)c1.
What is the InChIKey of 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene?
The InChIKey is XKCNNWGKQYUSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C131H94/c1-87-63-89(3)128(90(4)64-87)125-60-34-62-127-130(125)129-88(2)35-29-61-126(129)131(127,123-83-119(103-56-30-52-99(65-103)115-73-107(91-36-13-5-14-37-91)69-108(74-115)92-38-15-6-16-39-92)81-120(84-123)104-57-31-53-100(66-104)116-75-109(93-40-17-7-18-41-93)70-110(76-116)94-42-19-8-20-43-94)124-85-121(105-58-32-54-101(67-105)117-77-111(95-44-21-9-22-45-95)71-112(78-117)96-46-23-10-24-47-96)82-122(86-124)106-59-33-55-102(68-106)118-79-113(97-48-25-11-26-49-97)72-114(80-118)98-50-27-12-28-51-98/h5-86H,1-4H3.
What are the key properties of 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene?
9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene has a molecular weight of 1668.19 g/mol, XLogP of 35.62, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-methyl-5-(2,4,6-trimethylphenyl)fluorene is sourced from PubChem (CID 164755578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).