1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene

C142H182 — CID 176589286

IUPAC1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene
SMILESCC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3cc(-c4c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cccc4-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccc4-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3-c3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cccc3-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C142H182/c1-127(2,3)99-60-90(61-100(77-99)128(4,5)6)87-55-56-115(94-66-105(133(19,20)21)80-106(67-94)134(22,23)24)121(76-87)122-86-123(125-116(95-68-107(135(25,26)27)81-108(69-95)136(28,29)30)51-49-52-117(125)96-70-109(137(31,32)33)82-110(71-96)138(34,35)36)120(93-58-88(91-62-101(129(7,8)9)78-102(63-91)130(10,11)12)57-89(59-93)92-64-103(131(13,14)15)79-104(65-92)132(16,17)18)85-124(122)126-118(97-72-111(139(37,38)39)83-112(73-97)140(40,41)42)53-50-54-119(126)98-74-113(141(43,44)45)84-114(75-98)142(46,47)48/h49-86H,1-48H3
InChIKeyZWWYVUYTHQDGBS-UHFFFAOYSA-N
MW1889.02 g/mol
LogP42.45
Rot. Bonds12

About 1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene

1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene (PubChem CID 176589286) has the molecular formula C142H182 and a molecular weight of 1889.02 g/mol. Its IUPAC name is 1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene
PubChem CID176589286
Molecular FormulaC142H182
Molecular Weight1889.02 g/mol
Exact Mass1887.42
IUPAC Name1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene
SMILESCC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3cc(-c4c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cccc4-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccc4-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3-c3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cccc3-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C142H182/c1-127(2,3)99-60-90(61-100(77-99)128(4,5)6)87-55-56-115(94-66-105(133(19,20)21)80-106(67-94)134(22,23)24)121(76-87)122-86-123(125-116(95-68-107(135(25,26)27)81-108(69-95)136(28,29)30)51-49-52-117(125)96-70-109(137(31,32)33)82-110(71-96)138(34,35)36)120(93-58-88(91-62-101(129(7,8)9)78-102(63-91)130(10,11)12)57-89(59-93)92-64-103(131(13,14)15)79-104(65-92)132(16,17)18)85-124(122)126-118(97-72-111(139(37,38)39)83-112(73-97)140(40,41)42)53-50-54-119(126)98-74-113(141(43,44)45)84-114(75-98)142(46,47)48/h49-86H,1-48H3
InChIKeyZWWYVUYTHQDGBS-UHFFFAOYSA-N
XLogP42.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001889.02
LogP ≤ 542.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene with MolForge

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Related Compounds

1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
CID 140865937
1-bromo-2-(3,5-ditert-butylphenyl)-3-methylbenzene
CID 170160671
2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline
CID 177078236
2-[3-chloro-5-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160958371
1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene
CID 143438062
1-[3,5-bis(3,5-ditert-butylphenyl)phenyl]pyrene
CID 178182217
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170288884
bis(2-(4-tert-butylphenyl)biphenylene);phosphinous acid
CID 67686837
2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine
CID 157308201
2,6-bis(3,5-ditert-butylphenyl)-4-[3-(3,5-ditert-butylphenyl)phenyl]pyridine
CID 158776807
2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene
CID 140865935
4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene
CID 140873499

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene?
The IUPAC name of 1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene (CID 176589286) is 1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene.
What is the SMILES notation for 1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene?
The canonical SMILES for 1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene is CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3cc(-c4c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cccc4-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccc4-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3-c3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cccc3-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2)cc(C(C)(C)C)c1.
What is the InChIKey of 1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene?
The InChIKey is ZWWYVUYTHQDGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H182/c1-127(2,3)99-60-90(61-100(77-99)128(4,5)6)87-55-56-115(94-66-105(133(19,20)21)80-106(67-94)134(22,23)24)121(76-87)122-86-123(125-116(95-68-107(135(25,26)27)81-108(69-95)136(28,29)30)51-49-52-117(125)96-70-109(137(31,32)33)82-110(71-96)138(34,35)36)120(93-58-88(91-62-101(129(7,8)9)78-102(63-91)130(10,11)12)57-89(59-93)92-64-103(131(13,14)15)79-104(65-92)132(16,17)18)85-124(122)126-118(97-72-111(139(37,38)39)83-112(73-97)140(40,41)42)53-50-54-119(126)98-74-113(141(43,44)45)84-114(75-98)142(46,47)48/h49-86H,1-48H3.
What are the key properties of 1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene?
1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene has a molecular weight of 1889.02 g/mol, XLogP of 42.45, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene is sourced from PubChem (CID 176589286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).