bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methylphenyl)pyren-1-yl]borane;(6,8-diphenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane

C165H155B3 — CID 158931954

IUPACbis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methylphenyl)pyren-1-yl]borane;(6,8-diphenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc(-c3ccc(C(C)(C)C)cc3)c3ccc4c(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c5ccc2c3c54)c(C)c1.Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2ccc3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc2c3c45)c(C)c1.Cc1ccc(-c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)c3ccc4c(-c5ccc(C)cc5)cc(-c5ccc(C)cc5)c5ccc2c3c45)cc1
InChIInChI=1S/C64H67B.C55H49B.C46H39B/c1-38-32-40(3)60(41(4)33-38)65(61-42(5)34-39(2)35-43(61)6)57-37-56(46-20-26-49(27-21-46)64(13,14)15)52-29-28-50-54(44-16-22-47(23-17-44)62(7,8)9)36-55(51-30-31-53(57)59(52)58(50)51)45-18-24-48(25-19-45)63(10,11)12;1-32-10-16-41(17-11-32)48-30-49(42-18-12-33(2)13-19-42)45-24-25-47-51(31-50(43-20-14-34(3)15-21-43)46-23-22-44(48)52(45)53(46)47)56(54-37(6)26-35(4)27-38(54)7)55-39(8)28-36(5)29-40(55)9;1-28-23-30(3)45(31(4)24-28)47(46-32(5)25-29(2)26-33(46)6)42-22-18-36-17-19-37-40(34-13-9-7-10-14-34)27-41(35-15-11-8-12-16-35)38-20-21-39(42)43(36)44(37)38/h16-37H,1-15H3;10-31H,1-9H3;7-27H,1-6H3
InChIKeyJJEDICKFVDUXPJ-UHFFFAOYSA-N
MW2170.49 g/mol
LogP39.01
Rot. Bonds17

About bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methylphenyl)pyren-1-yl]borane;(6,8-diphenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane

bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methylphenyl)pyren-1-yl]borane;(6,8-diphenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane (PubChem CID 158931954) has the molecular formula C165H155B3 and a molecular weight of 2170.49 g/mol. Its IUPAC name is bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methylphenyl)pyren-1-yl]borane;(6,8-diphenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane.

Molecular Properties

Compound Namebis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methylphenyl)pyren-1-yl]borane;(6,8-diphenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane
PubChem CID158931954
Molecular FormulaC165H155B3
Molecular Weight2170.49 g/mol
Exact Mass2169.24
IUPAC Namebis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methylphenyl)pyren-1-yl]borane;(6,8-diphenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc(-c3ccc(C(C)(C)C)cc3)c3ccc4c(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c5ccc2c3c54)c(C)c1.Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2ccc3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc2c3c45)c(C)c1.Cc1ccc(-c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)c3ccc4c(-c5ccc(C)cc5)cc(-c5ccc(C)cc5)c5ccc2c3c45)cc1
InChIInChI=1S/C64H67B.C55H49B.C46H39B/c1-38-32-40(3)60(41(4)33-38)65(61-42(5)34-39(2)35-43(61)6)57-37-56(46-20-26-49(27-21-46)64(13,14)15)52-29-28-50-54(44-16-22-47(23-17-44)62(7,8)9)36-55(51-30-31-53(57)59(52)58(50)51)45-18-24-48(25-19-45)63(10,11)12;1-32-10-16-41(17-11-32)48-30-49(42-18-12-33(2)13-19-42)45-24-25-47-51(31-50(43-20-14-34(3)15-21-43)46-23-22-44(48)52(45)53(46)47)56(54-37(6)26-35(4)27-38(54)7)55-39(8)28-36(5)29-40(55)9;1-28-23-30(3)45(31(4)24-28)47(46-32(5)25-29(2)26-33(46)6)42-22-18-36-17-19-37-40(34-13-9-7-10-14-34)27-41(35-15-11-8-12-16-35)38-20-21-39(42)43(36)44(37)38/h16-37H,1-15H3;10-31H,1-9H3;7-27H,1-6H3
InChIKeyJJEDICKFVDUXPJ-UHFFFAOYSA-N
XLogP39.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002170.49
LogP ≤ 539.01
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_3', 'substructure': 'N/A'}

Analyze bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methylphenyl)pyren-1-yl]borane;(6,8-diphenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane with MolForge

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Related Compounds

(7-tert-butyl-3-phenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane
CID 59390352
ethane;(8-methyl-6-phenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane
CID 143594205
[3,8-bis(3-tert-butylphenyl)pyren-1-yl]-bis(2,4,6-trimethylphenyl)borane;[3,8-bis(3-methylphenyl)pyren-1-yl]-bis(2,4,6-trimethylphenyl)borane;(3,8-dinaphthalen-2-ylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane
CID 158491496
bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-fluorophenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methoxyphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(2-methylphenyl)pyren-1-yl]borane
CID 160793654
12-bis(2,4,6-trimethylphenyl)boranyl-N,N-dimethyl-5,20-diphenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2,4,6,8,10,12,15,17(22),18,20-undecaen-9-amine
CID 177471421
6-bis(2,4,6-trimethylphenyl)boranyl-N-phenanthren-2-yl-N-(2,4,6-trimethylphenyl)pyren-1-amine
CID 140727737
1,3,6,8-tetrakis(3-methylphenyl)pyrene;1,3,6,8-tetranaphthalen-2-ylpyrene;1,3,6,8-tetraphenylpyrene
CID 161370892
6-[(2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)boranyl]-N-(4-methylphenyl)-N-naphthalen-2-ylpyren-1-amine
CID 140727741
1,3,6-tris(4-phenylphenyl)pyrene
CID 123689600
1-N,6-N-bis(4-tert-butylphenyl)-3,8-dinaphthalen-2-yl-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dinaphthalen-2-yl-1-N,1-N,6-N,6-N-tetrakis(3-phenylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-dinaphthalen-2-ylpyrene-1,6-diamine
CID 160638622
[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-bis(2,4,6-trimethylphenyl)borane
CID 23115800
1,6-bis(4-tert-butylphenyl)-3,8-bis(4-naphthalen-1-ylphenyl)pyrene
CID 59391221

Frequently Asked Questions

What is the IUPAC name of bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methylphenyl)pyren-1-yl]borane;(6,8-diphenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane?
The IUPAC name of bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methylphenyl)pyren-1-yl]borane;(6,8-diphenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane (CID 158931954) is bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methylphenyl)pyren-1-yl]borane;(6,8-diphenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane.
What is the SMILES notation for bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methylphenyl)pyren-1-yl]borane;(6,8-diphenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane?
The canonical SMILES for bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methylphenyl)pyren-1-yl]borane;(6,8-diphenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane is Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cc(-c3ccc(C(C)(C)C)cc3)c3ccc4c(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c5ccc2c3c54)c(C)c1.Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2ccc3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc2c3c45)c(C)c1.Cc1ccc(-c2cc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)c3ccc4c(-c5ccc(C)cc5)cc(-c5ccc(C)cc5)c5ccc2c3c45)cc1.
What is the InChIKey of bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methylphenyl)pyren-1-yl]borane;(6,8-diphenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane?
The InChIKey is JJEDICKFVDUXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H67B.C55H49B.C46H39B/c1-38-32-40(3)60(41(4)33-38)65(61-42(5)34-39(2)35-43(61)6)57-37-56(46-20-26-49(27-21-46)64(13,14)15)52-29-28-50-54(44-16-22-47(23-17-44)62(7,8)9)36-55(51-30-31-53(57)59(52)58(50)51)45-18-24-48(25-19-45)63(10,11)12;1-32-10-16-41(17-11-32)48-30-49(42-18-12-33(2)13-19-42)45-24-25-47-51(31-50(43-20-14-34(3)15-21-43)46-23-22-44(48)52(45)53(46)47)56(54-37(6)26-35(4)27-38(54)7)55-39(8)28-36(5)29-40(55)9;1-28-23-30(3)45(31(4)24-28)47(46-32(5)25-29(2)26-33(46)6)42-22-18-36-17-19-37-40(34-13-9-7-10-14-34)27-41(35-15-11-8-12-16-35)38-20-21-39(42)43(36)44(37)38/h16-37H,1-15H3;10-31H,1-9H3;7-27H,1-6H3.
What are the key properties of bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methylphenyl)pyren-1-yl]borane;(6,8-diphenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane?
bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methylphenyl)pyren-1-yl]borane;(6,8-diphenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane has a molecular weight of 2170.49 g/mol, XLogP of 39.01, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]borane;bis(2,4,6-trimethylphenyl)-[3,6,8-tris(4-methylphenyl)pyren-1-yl]borane;(6,8-diphenylpyren-1-yl)-bis(2,4,6-trimethylphenyl)borane is sourced from PubChem (CID 158931954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).