[10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane

C142H128B6 — CID 102241957

IUPAC[10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane
SMILESCc1cc(C)c(B(c2c(C)cc(C)cc2C)c2c3ccccc3c(B(c3c4ccccc4c(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)c4ccccc34)c3c4ccccc4c(B(c4c5ccccc5c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)c5ccccc45)c4c5ccccc5c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)c5ccccc45)c4ccccc34)c3ccccc23)c(C)c1
InChIInChI=1S/C142H128B6/c1-81-65-89(9)125(90(10)66-81)143(126-91(11)67-82(2)68-92(126)12)133-105-45-25-33-53-113(105)137(114-54-34-26-46-106(114)133)147(138-115-55-35-27-47-107(115)134(108-48-28-36-56-116(108)138)144(127-93(13)69-83(3)70-94(127)14)128-95(15)71-84(4)72-96(128)16)141-121-61-41-43-63-123(121)142(124-64-44-42-62-122(124)141)148(139-117-57-37-29-49-109(117)135(110-50-30-38-58-118(110)139)145(129-97(17)73-85(5)74-98(129)18)130-99(19)75-86(6)76-100(130)20)140-119-59-39-31-51-111(119)136(112-52-32-40-60-120(112)140)146(131-101(21)77-87(7)78-102(131)22)132-103(23)79-88(8)80-104(132)24/h25-80H,1-24H3
InChIKeySAVHQLODYZZCBM-UHFFFAOYSA-N
MW1899.46 g/mol
LogP23.72
Rot. Bonds18

About [10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane

[10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane (PubChem CID 102241957) has the molecular formula C142H128B6 and a molecular weight of 1899.46 g/mol. Its IUPAC name is [10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane.

Molecular Properties

Compound Name[10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane
PubChem CID102241957
Molecular FormulaC142H128B6
Molecular Weight1899.46 g/mol
Exact Mass1899.06
IUPAC Name[10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane
SMILESCc1cc(C)c(B(c2c(C)cc(C)cc2C)c2c3ccccc3c(B(c3c4ccccc4c(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)c4ccccc34)c3c4ccccc4c(B(c4c5ccccc5c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)c5ccccc45)c4c5ccccc5c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)c5ccccc45)c4ccccc34)c3ccccc23)c(C)c1
InChIInChI=1S/C142H128B6/c1-81-65-89(9)125(90(10)66-81)143(126-91(11)67-82(2)68-92(126)12)133-105-45-25-33-53-113(105)137(114-54-34-26-46-106(114)133)147(138-115-55-35-27-47-107(115)134(108-48-28-36-56-116(108)138)144(127-93(13)69-83(3)70-94(127)14)128-95(15)71-84(4)72-96(128)16)141-121-61-41-43-63-123(121)142(124-64-44-42-62-122(124)141)148(139-117-57-37-29-49-109(117)135(110-50-30-38-58-118(110)139)145(129-97(17)73-85(5)74-98(129)18)130-99(19)75-86(6)76-100(130)20)140-119-59-39-31-51-111(119)136(112-52-32-40-60-120(112)140)146(131-101(21)77-87(7)78-102(131)22)132-103(23)79-88(8)80-104(132)24/h25-80H,1-24H3
InChIKeySAVHQLODYZZCBM-UHFFFAOYSA-N
XLogP23.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001899.46
LogP ≤ 523.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane with MolForge

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Related Compounds

4-[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]-N-phenylaniline
CID 101137265
[6-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-4-yl]-bis(2,4,6-trimethylphenyl)borane;toluene
CID 139105726
[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-bis(2,4,6-trimethylphenyl)borane
CID 23115800
[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane
CID 143123585
4-[4-bis(2,4,6-trimethylphenyl)boranyl-3,5-dimethylphenyl]-N,N-diphenylaniline
CID 102186845
methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane
CID 20689823
thiophen-2-yl-bis(2,4,6-trimethylphenyl)borane
CID 70189705
5-bis(2,4,6-trimethylphenyl)boranyl-4,6-dimethylbenzene-1,3-dicarboxylic acid
CID 123891293
1,3-dimethylnaphthalene;ethane
CID 145447624
CID 119078214
CID 119078214
[4-(4-benzo[c]acridin-5-ylnaphthalen-1-yl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane
CID 140836737
(3-dibenzothiophen-4-ylphenyl)-bis(2,4,6-trimethylphenyl)borane
CID 122376566

Frequently Asked Questions

What is the IUPAC name of [10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane?
The IUPAC name of [10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane (CID 102241957) is [10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane.
What is the SMILES notation for [10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane?
The canonical SMILES for [10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane is Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2c3ccccc3c(B(c3c4ccccc4c(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)c4ccccc34)c3c4ccccc4c(B(c4c5ccccc5c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)c5ccccc45)c4c5ccccc5c(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)c5ccccc45)c4ccccc34)c3ccccc23)c(C)c1.
What is the InChIKey of [10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane?
The InChIKey is SAVHQLODYZZCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H128B6/c1-81-65-89(9)125(90(10)66-81)143(126-91(11)67-82(2)68-92(126)12)133-105-45-25-33-53-113(105)137(114-54-34-26-46-106(114)133)147(138-115-55-35-27-47-107(115)134(108-48-28-36-56-116(108)138)144(127-93(13)69-83(3)70-94(127)14)128-95(15)71-84(4)72-96(128)16)141-121-61-41-43-63-123(121)142(124-64-44-42-62-122(124)141)148(139-117-57-37-29-49-109(117)135(110-50-30-38-58-118(110)139)145(129-97(17)73-85(5)74-98(129)18)130-99(19)75-86(6)76-100(130)20)140-119-59-39-31-51-111(119)136(112-52-32-40-60-120(112)140)146(131-101(21)77-87(7)78-102(131)22)132-103(23)79-88(8)80-104(132)24/h25-80H,1-24H3.
What are the key properties of [10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane?
[10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane has a molecular weight of 1899.46 g/mol, XLogP of 23.72, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane is sourced from PubChem (CID 102241957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).