10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9,9-diphenylacridine

C67H71B2N — CID 140835399

IUPAC10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9,9-diphenylacridine
SMILESCC(C)c1cc(C(C)C)c(B2c3ccccc3B(c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)c(C(C)C)c1
InChIInChI=1S/C67H71B2N/c1-42(2)48-37-53(44(5)6)65(54(38-48)45(7)8)68-59-31-21-22-32-60(59)69(66-55(46(9)10)39-49(43(3)4)40-56(66)47(11)12)62-41-52(35-36-61(62)68)70-63-33-23-19-29-57(63)67(50-25-15-13-16-26-50,51-27-17-14-18-28-51)58-30-20-24-34-64(58)70/h13-47H,1-12H3
InChIKeyJOJHDFMERFNUHN-UHFFFAOYSA-N
MW911.94 g/mol
LogP13.94
Rot. Bonds11

About 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9,9-diphenylacridine

10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9,9-diphenylacridine (PubChem CID 140835399) has the molecular formula C67H71B2N and a molecular weight of 911.94 g/mol. Its IUPAC name is 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9,9-diphenylacridine.

Molecular Properties

Compound Name10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9,9-diphenylacridine
PubChem CID140835399
Molecular FormulaC67H71B2N
Molecular Weight911.94 g/mol
Exact Mass911.58
IUPAC Name10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9,9-diphenylacridine
SMILESCC(C)c1cc(C(C)C)c(B2c3ccccc3B(c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)c(C(C)C)c1
InChIInChI=1S/C67H71B2N/c1-42(2)48-37-53(44(5)6)65(54(38-48)45(7)8)68-59-31-21-22-32-60(59)69(66-55(46(9)10)39-49(43(3)4)40-56(66)47(11)12)62-41-52(35-36-61(62)68)70-63-33-23-19-29-57(63)67(50-25-15-13-16-26-50,51-27-17-14-18-28-51)58-30-20-24-34-64(58)70/h13-47H,1-12H3
InChIKeyJOJHDFMERFNUHN-UHFFFAOYSA-N
XLogP13.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.94
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-[8-(9',9'-dimethylspiro[acridine-9,10'-anthracene]-10-yl)-5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9',9'-dimethylspiro[acridine-9,10'-anthracene]
CID 140835467
10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene]
CID 140835374
10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline]
CID 140835309
9,9-bis(2,4,6-trimethylphenyl)-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;2,7-dimethyl-9,9-diphenyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;10-[3-(9,9-diphenylacridin-10-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]-9,9-diphenylacridine;9,9-diphenyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine
CID 158446999
10-[3-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]spiro[acridine-9,9'-thioxanthene]
CID 140835417
2',7'-dimethyl-10-phenyl-10'-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]-9,9'-spirobi[acridine]
CID 153437555
10'-pyridin-3-yl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]-9,9'-spirobi[acridine]
CID 153437570
5-phenyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]phenazine
CID 140728552
CID 140835281
CID 140835281
10,10-diphenyl-5-[5-phenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzazaborinin-3-yl]benzo[b][1,4]benzazagermine
CID 159748167
10-(5,17-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-9,9-diphenylacridine
CID 160797935
2,8-dimethyl-10,10-diphenyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]benzo[b][1,4]benzazasiline
CID 140835322

Frequently Asked Questions

What is the IUPAC name of 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9,9-diphenylacridine?
The IUPAC name of 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9,9-diphenylacridine (CID 140835399) is 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9,9-diphenylacridine.
What is the SMILES notation for 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9,9-diphenylacridine?
The canonical SMILES for 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9,9-diphenylacridine is CC(C)c1cc(C(C)C)c(B2c3ccccc3B(c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)c(C(C)C)c1.
What is the InChIKey of 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9,9-diphenylacridine?
The InChIKey is JOJHDFMERFNUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H71B2N/c1-42(2)48-37-53(44(5)6)65(54(38-48)45(7)8)68-59-31-21-22-32-60(59)69(66-55(46(9)10)39-49(43(3)4)40-56(66)47(11)12)62-41-52(35-36-61(62)68)70-63-33-23-19-29-57(63)67(50-25-15-13-16-26-50,51-27-17-14-18-28-51)58-30-20-24-34-64(58)70/h13-47H,1-12H3.
What are the key properties of 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9,9-diphenylacridine?
10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9,9-diphenylacridine has a molecular weight of 911.94 g/mol, XLogP of 13.94, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9,9-diphenylacridine is sourced from PubChem (CID 140835399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).