2',7'-bis[(E)-2-(4-bromophenyl)ethenyl]-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene];2',7'-dibromo-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,7-diamine;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane;2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane

C193H208B4Br4N2O12 — CID 159707272

IUPAC2',7'-bis[(E)-2-(4-bromophenyl)ethenyl]-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene];2',7'-dibromo-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,7-diamine;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane;2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane
SMILESBrc1ccc2c(c1)C1(c3cc(Br)ccc3-2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.CCC(C)COc1cc2c(cc1OCC(C)CC)C1(c3cc(/C=C/c4ccc(Br)cc4)ccc3-c3ccc(/C=C/c4ccc(Br)cc4)cc31)c1cc(OCC(C)CC)c(OCC(C)CC)cc1-2.CCCCCCC(C)(CC)c1ccc2c(c1)C1(c3cc(B4OCCO4)ccc3-c3ccc(B4OCCO4)cc31)c1cc(C(C)(CC)CCCCCC)ccc1-2.CCCCCCCCc1c(CCCCCCCC)c2cc(B3OCCO3)ccc2c2ccc(B3OCCO3)cc12
InChIInChI=1S/C61H66Br2O4.C49H62B2O4.C49H32Br2N2.C34H48B2O4/c1-9-39(5)35-64-57-31-51-52-32-58(65-36-40(6)10-2)60(67-38-42(8)12-4)34-56(52)61(55(51)33-59(57)66-37-41(7)11-3)53-29-45(15-13-43-17-23-47(62)24-18-43)21-27-49(53)50-28-22-46(30-54(50)61)16-14-44-19-25-48(63)26-20-44;1-7-11-13-15-25-47(5,9-3)35-17-21-39-40-22-18-36(48(6,10-4)26-16-14-12-8-2)32-44(40)49(43(39)31-35)45-33-37(50-52-27-28-53-50)19-23-41(45)42-24-20-38(34-46(42)49)51-54-29-30-55-51;50-33-21-25-41-42-26-22-34(51)30-46(42)49(45(41)29-33)47-31-39(52(35-13-5-1-6-14-35)36-15-7-2-8-16-36)23-27-43(47)44-28-24-40(32-48(44)49)53(37-17-9-3-10-18-37)38-19-11-4-12-20-38;1-3-5-7-9-11-13-15-29-30(16-14-12-10-8-6-4-2)34-26-28(36-39-23-24-40-36)18-20-32(34)31-19-17-27(25-33(29)31)35-37-21-22-38-35/h13-34,39-42H,9-12,35-38H2,1-8H3;17-24,31-34H,7-16,25-30H2,1-6H3;1-32H;17-20,25-26H,3-16,21-24H2,1-2H3/b15-13+,16-14+;;;
InChIKeyMYJJDKHGTNCKMB-HZYMLZJRSA-N
MW3110.65 g/mol
LogP50.16
Rot. Bonds58

About 2',7'-bis[(E)-2-(4-bromophenyl)ethenyl]-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene];2',7'-dibromo-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,7-diamine;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane;2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane

2',7'-bis[(E)-2-(4-bromophenyl)ethenyl]-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene];2',7'-dibromo-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,7-diamine;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane;2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane (PubChem CID 159707272) has the molecular formula C193H208B4Br4N2O12 and a molecular weight of 3110.65 g/mol. Its IUPAC name is 2',7'-bis[(E)-2-(4-bromophenyl)ethenyl]-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene];2',7'-dibromo-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,7-diamine;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane;2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2',7'-bis[(E)-2-(4-bromophenyl)ethenyl]-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene];2',7'-dibromo-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,7-diamine;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane;2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane
PubChem CID159707272
Molecular FormulaC193H208B4Br4N2O12
Molecular Weight3110.65 g/mol
Exact Mass3105.28
IUPAC Name2',7'-bis[(E)-2-(4-bromophenyl)ethenyl]-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene];2',7'-dibromo-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,7-diamine;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane;2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane
SMILESBrc1ccc2c(c1)C1(c3cc(Br)ccc3-2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.CCC(C)COc1cc2c(cc1OCC(C)CC)C1(c3cc(/C=C/c4ccc(Br)cc4)ccc3-c3ccc(/C=C/c4ccc(Br)cc4)cc31)c1cc(OCC(C)CC)c(OCC(C)CC)cc1-2.CCCCCCC(C)(CC)c1ccc2c(c1)C1(c3cc(B4OCCO4)ccc3-c3ccc(B4OCCO4)cc31)c1cc(C(C)(CC)CCCCCC)ccc1-2.CCCCCCCCc1c(CCCCCCCC)c2cc(B3OCCO3)ccc2c2ccc(B3OCCO3)cc12
InChIInChI=1S/C61H66Br2O4.C49H62B2O4.C49H32Br2N2.C34H48B2O4/c1-9-39(5)35-64-57-31-51-52-32-58(65-36-40(6)10-2)60(67-38-42(8)12-4)34-56(52)61(55(51)33-59(57)66-37-41(7)11-3)53-29-45(15-13-43-17-23-47(62)24-18-43)21-27-49(53)50-28-22-46(30-54(50)61)16-14-44-19-25-48(63)26-20-44;1-7-11-13-15-25-47(5,9-3)35-17-21-39-40-22-18-36(48(6,10-4)26-16-14-12-8-2)32-44(40)49(43(39)31-35)45-33-37(50-52-27-28-53-50)19-23-41(45)42-24-20-38(34-46(42)49)51-54-29-30-55-51;50-33-21-25-41-42-26-22-34(51)30-46(42)49(45(41)29-33)47-31-39(52(35-13-5-1-6-14-35)36-15-7-2-8-16-36)23-27-43(47)44-28-24-40(32-48(44)49)53(37-17-9-3-10-18-37)38-19-11-4-12-20-38;1-3-5-7-9-11-13-15-29-30(16-14-12-10-8-6-4-2)34-26-28(36-39-23-24-40-36)18-20-32(34)31-19-17-27(25-33(29)31)35-37-21-22-38-35/h13-34,39-42H,9-12,35-38H2,1-8H3;17-24,31-34H,7-16,25-30H2,1-6H3;1-32H;17-20,25-26H,3-16,21-24H2,1-2H3/b15-13+,16-14+;;;
InChIKeyMYJJDKHGTNCKMB-HZYMLZJRSA-N
XLogP50.16
TPSA117.24 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds58
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003110.65
LogP ≤ 550.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2',7'-bis[(E)-2-(4-bromophenyl)ethenyl]-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene];2',7'-dibromo-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,7-diamine;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane;2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane with MolForge

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Related Compounds

9-[3,4-bis(2-methylbutoxy)phenyl]-2,7-dibromo-9-(2,5-dimethylphenyl)fluorene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;4,4'-dibromo-1,1'-dimethoxy-9,9'-spirobi[fluorene];2-[7'-(1,3,2-dioxaborolan-2-yl)-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane
CID 161104018
1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)benzene-1,4-diamine;2,6-dibromo-9,10-dinaphthalen-1-ylanthracene;11,25-dibromo-14,14,28,28-tetrakis[4-(butoxymethyl)phenyl]heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane
CID 160642601
4,7-bis(4-bromocyclopenta-1,3-dien-1-yl)-2,1,3-benzothiadiazole;1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)benzene-1,4-diamine;2-[6,6-bis(4-tert-butylphenyl)-2-(1,3,2-dioxaborolan-2-yl)-12,12-dioctylindeno[1,2-b]fluoren-8-yl]-1,3,2-dioxaborolane;N-(4-bromophenyl)-4-[(E)-2-(4-bromophenyl)ethenyl]-N-(4-tert-butylphenyl)aniline;2,6-dibromo-9,10-dinaphthalen-1-ylanthracene
CID 161046603
2-[9-[3,4-bis(2-methylbutoxy)phenyl]-9-(9,9-dihexylfluoren-2-yl)-7-(1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane
CID 102482421
2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane
CID 59518564
4,7-bis(4-bromocyclopenta-1,3-dien-1-yl)-2,1,3-benzothiadiazole;1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)benzene-1,4-diamine;2-[6,6-bis(4-tert-butylphenyl)-2-(1,3,2-dioxaborolan-2-yl)-12,12-dioctylindeno[1,2-b]fluoren-8-yl]-1,3,2-dioxaborolane;N-(4-bromophenyl)-4-[(E)-2-(4-bromophenyl)ethenyl]-N-(4-tert-butylphenyl)aniline;2,6-dibromo-4,8-dinaphthalen-2-ylthieno[2,3-f][1]benzothiole
CID 160946211
2-N,7-N-bis(4-tert-butylphenyl)-9,10-dioctyl-2-N,7-N-diphenylphenanthrene-2,7-diamine
CID 87307828
CID 89075733
CID 89075733
N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane
CID 161045286
9-N,10-N,10-N-tris(4-tert-butylphenyl)-9-N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]anthracene-9,10-diamine
CID 140553749
2-[9-[3,4-bis(2-methylbutoxy)phenyl]-9-[9,9-bis(2-methylbutyl)fluoren-2-yl]-7-(1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1,3,2-dioxaborolane
CID 58711224
N,N-bis(3-bromophenyl)-2',7'-bis(3,7-dimethyloctan-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90008138

Frequently Asked Questions

What is the IUPAC name of 2',7'-bis[(E)-2-(4-bromophenyl)ethenyl]-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene];2',7'-dibromo-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,7-diamine;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane;2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 2',7'-bis[(E)-2-(4-bromophenyl)ethenyl]-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene];2',7'-dibromo-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,7-diamine;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane;2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane (CID 159707272) is 2',7'-bis[(E)-2-(4-bromophenyl)ethenyl]-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene];2',7'-dibromo-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,7-diamine;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane;2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 2',7'-bis[(E)-2-(4-bromophenyl)ethenyl]-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene];2',7'-dibromo-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,7-diamine;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane;2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 2',7'-bis[(E)-2-(4-bromophenyl)ethenyl]-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene];2',7'-dibromo-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,7-diamine;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane;2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane is Brc1ccc2c(c1)C1(c3cc(Br)ccc3-2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.CCC(C)COc1cc2c(cc1OCC(C)CC)C1(c3cc(/C=C/c4ccc(Br)cc4)ccc3-c3ccc(/C=C/c4ccc(Br)cc4)cc31)c1cc(OCC(C)CC)c(OCC(C)CC)cc1-2.CCCCCCC(C)(CC)c1ccc2c(c1)C1(c3cc(B4OCCO4)ccc3-c3ccc(B4OCCO4)cc31)c1cc(C(C)(CC)CCCCCC)ccc1-2.CCCCCCCCc1c(CCCCCCCC)c2cc(B3OCCO3)ccc2c2ccc(B3OCCO3)cc12.
What is the InChIKey of 2',7'-bis[(E)-2-(4-bromophenyl)ethenyl]-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene];2',7'-dibromo-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,7-diamine;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane;2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane?
The InChIKey is MYJJDKHGTNCKMB-HZYMLZJRSA-N. The full InChI is InChI=1S/C61H66Br2O4.C49H62B2O4.C49H32Br2N2.C34H48B2O4/c1-9-39(5)35-64-57-31-51-52-32-58(65-36-40(6)10-2)60(67-38-42(8)12-4)34-56(52)61(55(51)33-59(57)66-37-41(7)11-3)53-29-45(15-13-43-17-23-47(62)24-18-43)21-27-49(53)50-28-22-46(30-54(50)61)16-14-44-19-25-48(63)26-20-44;1-7-11-13-15-25-47(5,9-3)35-17-21-39-40-22-18-36(48(6,10-4)26-16-14-12-8-2)32-44(40)49(43(39)31-35)45-33-37(50-52-27-28-53-50)19-23-41(45)42-24-20-38(34-46(42)49)51-54-29-30-55-51;50-33-21-25-41-42-26-22-34(51)30-46(42)49(45(41)29-33)47-31-39(52(35-13-5-1-6-14-35)36-15-7-2-8-16-36)23-27-43(47)44-28-24-40(32-48(44)49)53(37-17-9-3-10-18-37)38-19-11-4-12-20-38;1-3-5-7-9-11-13-15-29-30(16-14-12-10-8-6-4-2)34-26-28(36-39-23-24-40-36)18-20-32(34)31-19-17-27(25-33(29)31)35-37-21-22-38-35/h13-34,39-42H,9-12,35-38H2,1-8H3;17-24,31-34H,7-16,25-30H2,1-6H3;1-32H;17-20,25-26H,3-16,21-24H2,1-2H3/b15-13+,16-14+;;;.
What are the key properties of 2',7'-bis[(E)-2-(4-bromophenyl)ethenyl]-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene];2',7'-dibromo-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,7-diamine;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane;2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane?
2',7'-bis[(E)-2-(4-bromophenyl)ethenyl]-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene];2',7'-dibromo-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,7-diamine;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane;2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane has a molecular weight of 3110.65 g/mol, XLogP of 50.16, 58 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-bis[(E)-2-(4-bromophenyl)ethenyl]-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene];2',7'-dibromo-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,7-diamine;2-[7-(1,3,2-dioxaborolan-2-yl)-2',7'-bis(3-methylnonan-3-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane;2-[7-(1,3,2-dioxaborolan-2-yl)-9,10-dioctylphenanthren-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 159707272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).