9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene

C135H134 — CID 164755528

IUPAC9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cc(-c4cc(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4)cc(C4(c5cc(-c6cc(-c7ccc(C(C)(C)C)cc7)cc(-c7ccc(C(C)(C)C)cc7)c6)cc(-c6cc(-c7ccc(C(C)(C)C)cc7)cc(-c7ccc(C(C)(C)C)cc7)c6)c5)c5ccccc5-c5c(-c6ccccc6)cccc54)c3)c2)cc1
InChIInChI=1S/C135H134/c1-127(2,3)112-53-37-87(38-54-112)96-69-97(88-39-55-113(56-40-88)128(4,5)6)74-104(73-96)108-81-109(105-75-98(89-41-57-114(58-42-89)129(7,8)9)70-99(76-105)90-43-59-115(60-44-90)130(10,11)12)84-120(83-108)135(124-35-29-28-33-123(124)126-122(34-30-36-125(126)135)95-31-26-25-27-32-95)121-85-110(106-77-100(91-45-61-116(62-46-91)131(13,14)15)71-101(78-106)92-47-63-117(64-48-92)132(16,17)18)82-111(86-121)107-79-102(93-49-65-118(66-50-93)133(19,20)21)72-103(80-107)94-51-67-119(68-52-94)134(22,23)24/h25-86H,1-24H3
InChIKeyZREHANWPCJDQSY-UHFFFAOYSA-N
MW1756.56 g/mol
LogP38.10
Rot. Bonds15

About 9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene

9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene (PubChem CID 164755528) has the molecular formula C135H134 and a molecular weight of 1756.56 g/mol. Its IUPAC name is 9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene.

Molecular Properties

Compound Name9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene
PubChem CID164755528
Molecular FormulaC135H134
Molecular Weight1756.56 g/mol
Exact Mass1755.05
IUPAC Name9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cc(-c4cc(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4)cc(C4(c5cc(-c6cc(-c7ccc(C(C)(C)C)cc7)cc(-c7ccc(C(C)(C)C)cc7)c6)cc(-c6cc(-c7ccc(C(C)(C)C)cc7)cc(-c7ccc(C(C)(C)C)cc7)c6)c5)c5ccccc5-c5c(-c6ccccc6)cccc54)c3)c2)cc1
InChIInChI=1S/C135H134/c1-127(2,3)112-53-37-87(38-54-112)96-69-97(88-39-55-113(56-40-88)128(4,5)6)74-104(73-96)108-81-109(105-75-98(89-41-57-114(58-42-89)129(7,8)9)70-99(76-105)90-43-59-115(60-44-90)130(10,11)12)84-120(83-108)135(124-35-29-28-33-123(124)126-122(34-30-36-125(126)135)95-31-26-25-27-32-95)121-85-110(106-77-100(91-45-61-116(62-46-91)131(13,14)15)71-101(78-106)92-47-63-117(64-48-92)132(16,17)18)82-111(86-121)107-79-102(93-49-65-118(66-50-93)133(19,20)21)72-103(80-107)94-51-67-119(68-52-94)134(22,23)24/h25-86H,1-24H3
InChIKeyZREHANWPCJDQSY-UHFFFAOYSA-N
XLogP38.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001756.56
LogP ≤ 538.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene
CID 164755546
9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene
CID 164755273
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene
CID 140873472
9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole
CID 164977187
9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
CID 22895266
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]
CID 177115837
4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene
CID 140873499
3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755332
9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine
CID 155153830
9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene
CID 164755492
9,9-bis(3,5-dibromophenyl)-2,5-diphenylfluorene
CID 164755471

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene?
The IUPAC name of 9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene (CID 164755528) is 9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene.
What is the SMILES notation for 9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene?
The canonical SMILES for 9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene is CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cc(-c4cc(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4)cc(C4(c5cc(-c6cc(-c7ccc(C(C)(C)C)cc7)cc(-c7ccc(C(C)(C)C)cc7)c6)cc(-c6cc(-c7ccc(C(C)(C)C)cc7)cc(-c7ccc(C(C)(C)C)cc7)c6)c5)c5ccccc5-c5c(-c6ccccc6)cccc54)c3)c2)cc1.
What is the InChIKey of 9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene?
The InChIKey is ZREHANWPCJDQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C135H134/c1-127(2,3)112-53-37-87(38-54-112)96-69-97(88-39-55-113(56-40-88)128(4,5)6)74-104(73-96)108-81-109(105-75-98(89-41-57-114(58-42-89)129(7,8)9)70-99(76-105)90-43-59-115(60-44-90)130(10,11)12)84-120(83-108)135(124-35-29-28-33-123(124)126-122(34-30-36-125(126)135)95-31-26-25-27-32-95)121-85-110(106-77-100(91-45-61-116(62-46-91)131(13,14)15)71-101(78-106)92-47-63-117(64-48-92)132(16,17)18)82-111(86-121)107-79-102(93-49-65-118(66-50-93)133(19,20)21)72-103(80-107)94-51-67-119(68-52-94)134(22,23)24/h25-86H,1-24H3.
What are the key properties of 9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene?
9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene has a molecular weight of 1756.56 g/mol, XLogP of 38.10, 15 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[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene is sourced from PubChem (CID 164755528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).