bis(2-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one);3-hydroxy-2-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]cyclobut-2-en-1-one;2-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-oxocyclobuten-1-olate

C230H267B8N16O12- — CID 159946216

About bis(2-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one);3-hydroxy-2-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]cyclobut-2-en-1-one;2-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-oxocyclobuten-1-olate

bis(2-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one);3-hydroxy-2-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]cyclobut-2-en-1-one;2-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-oxocyclobuten-1-olate (PubChem CID 159946216) has the molecular formula C230H267B8N16O12- and a molecular weight of 3534.26 g/mol. Its IUPAC name is bis(2-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one);3-hydroxy-2-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]cyclobut-2-en-1-one;2-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-oxocyclobuten-1-olate.

Molecular Properties

• Compound Name: bis(2-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one);3-hydroxy-2-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]cyclobut-2-en-1-one;2-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-oxocyclobuten-1-olate
• PubChem CID: 159946216
• Molecular Formula: C230H267B8N16O12-
• Molecular Weight: 3534.26 g/mol
• Exact Mass: 3533.15
• IUPAC Name: bis(2-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one);3-hydroxy-2-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]cyclobut-2-en-1-one;2-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-oxocyclobuten-1-olate
• SMILES: CC(C)CCCC(C)CCc1ccc(B2N=c3c(=C4C(=O)C(c5ccc6cccc7c6c5NB(c5ccc(CCC(C)CCCC(C)C)cc5)N7)=C4O)ccc4cccc(c34)N2)cc1.CC(C)CCCC(C)CCc1ccc(B2N=c3c(=C4C(=O)C(c5ccc6cccc7c6c5NB(c5ccc(CCC(C)CCCC(C)C)cc5)N7)=C4O)ccc4cccc(c34)N2)cc1.CC(C)COc1ccc(B2N=c3c(=C4C(=O)C(c5ccc6cccc7c6c5NB(c5ccc(OCC(C)C)cc5)N7)=C4O)ccc4cccc(c34)N2)cc1.CCCCCCCCCC(CCCCCCCCC)Oc1ccc(B2N=c3c(=C4C(=O)C(c5ccc6cccc7c6c5NB(c5ccc(OC(CCCCCCCCC)CCCCCCCCC)cc5)N7)=C4[O-])ccc4cccc(c34)N2)cc1
• InChI: InChI=1S/C74H100B2N4O4.2C56H64B2N4O2.C44H40B2N4O4/c1-5-9-13-17-21-25-29-37-59(38-30-26-22-18-14-10-6-2)83-61-49-45-57(46-50-61)75-77-65-41-33-35-55-43-53-63(71(79-75)67(55)65)69-73(81)70(74(69)82)64-54-44-56-36-34-42-66-68(56)72(64)80-76(78-66)58-47-51-62(52-48-58)84-60(39-31-27-23-19-15-11-7-3)40-32-28-24-20-16-12-8-4;2*1-35(2)11-7-13-37(5)19-21-39-23-29-43(30-24-39)57-59-47-17-9-15-41-27-33-45(53(61-57)49(41)47)51-55(63)52(56(51)64)46-34-28-42-16-10-18-48-50(42)54(46)62-58(60-48)44-31-25-40(26-32-44)22-20-38(6)14-8-12-36(3)4;1-25(2)23-53-31-17-13-29(14-18-31)45-47-35-9-5-7-27-11-21-33(41(49-45)37(27)35)39-43(51)40(44(39)52)34-22-12-28-8-6-10-36-38(28)42(34)50-46(48-36)30-15-19-32(20-16-30)54-24-26(3)4/h33-36,41-54,59-60,77-79,81H,5-32,37-40H2,1-4H3;2*9-10,15-18,23-38,59-61,63H,7-8,11-14,19-22H2,1-6H3;5-22,25-26,47-49,51H,23-24H2,1-4H3/p-1
• InChIKey: OBNDLAUMILOKKY-UHFFFAOYSA-M
• XLogP: 45.99
• TPSA: 382.75 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 28
• Rotatable Bonds: 82
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3534.26
LogP ≤ 5	45.99
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one);3-hydroxy-2-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]cyclobut-2-en-1-one;2-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-oxocyclobuten-1-olate?

The IUPAC name of bis(2-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one);3-hydroxy-2-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]cyclobut-2-en-1-one;2-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-oxocyclobuten-1-olate (CID 159946216) is bis(2-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one);3-hydroxy-2-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]cyclobut-2-en-1-one;2-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-oxocyclobuten-1-olate.

What is the SMILES notation for bis(2-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one);3-hydroxy-2-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]cyclobut-2-en-1-one;2-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-oxocyclobuten-1-olate?

The canonical SMILES for bis(2-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one);3-hydroxy-2-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]cyclobut-2-en-1-one;2-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-oxocyclobuten-1-olate is CC(C)CCCC(C)CCc1ccc(B2N=c3c(=C4C(=O)C(c5ccc6cccc7c6c5NB(c5ccc(CCC(C)CCCC(C)C)cc5)N7)=C4O)ccc4cccc(c34)N2)cc1.CC(C)CCCC(C)CCc1ccc(B2N=c3c(=C4C(=O)C(c5ccc6cccc7c6c5NB(c5ccc(CCC(C)CCCC(C)C)cc5)N7)=C4O)ccc4cccc(c34)N2)cc1.CC(C)COc1ccc(B2N=c3c(=C4C(=O)C(c5ccc6cccc7c6c5NB(c5ccc(OCC(C)C)cc5)N7)=C4O)ccc4cccc(c34)N2)cc1.CCCCCCCCCC(CCCCCCCCC)Oc1ccc(B2N=c3c(=C4C(=O)C(c5ccc6cccc7c6c5NB(c5ccc(OC(CCCCCCCCC)CCCCCCCCC)cc5)N7)=C4[O-])ccc4cccc(c34)N2)cc1.

What is the InChIKey of bis(2-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one);3-hydroxy-2-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]cyclobut-2-en-1-one;2-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-oxocyclobuten-1-olate?

The InChIKey is OBNDLAUMILOKKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C74H100B2N4O4.2C56H64B2N4O2.C44H40B2N4O4/c1-5-9-13-17-21-25-29-37-59(38-30-26-22-18-14-10-6-2)83-61-49-45-57(46-50-61)75-77-65-41-33-35-55-43-53-63(71(79-75)67(55)65)69-73(81)70(74(69)82)64-54-44-56-36-34-42-66-68(56)72(64)80-76(78-66)58-47-51-62(52-48-58)84-60(39-31-27-23-19-15-11-7-3)40-32-28-24-20-16-12-8-4;2*1-35(2)11-7-13-37(5)19-21-39-23-29-43(30-24-39)57-59-47-17-9-15-41-27-33-45(53(61-57)49(41)47)51-55(63)52(56(51)64)46-34-28-42-16-10-18-48-50(42)54(46)62-58(60-48)44-31-25-40(26-32-44)22-20-38(6)14-8-12-36(3)4;1-25(2)23-53-31-17-13-29(14-18-31)45-47-35-9-5-7-27-11-21-33(41(49-45)37(27)35)39-43(51)40(44(39)52)34-22-12-28-8-6-10-36-38(28)42(34)50-46(48-36)30-15-19-32(20-16-30)54-24-26(3)4/h33-36,41-54,59-60,77-79,81H,5-32,37-40H2,1-4H3;2*9-10,15-18,23-38,59-61,63H,7-8,11-14,19-22H2,1-6H3;5-22,25-26,47-49,51H,23-24H2,1-4H3/p-1.

What are the key properties of bis(2-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one);3-hydroxy-2-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]cyclobut-2-en-1-one;2-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-oxocyclobuten-1-olate?

bis(2-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one);3-hydroxy-2-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]cyclobut-2-en-1-one;2-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-oxocyclobuten-1-olate has a molecular weight of 3534.26 g/mol, XLogP of 45.99, 82 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(3,7-dimethyloctyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one);3-hydroxy-2-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(2-methylpropoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]cyclobut-2-en-1-one;2-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-(4-nonadecan-10-yloxyphenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-oxocyclobuten-1-olate is sourced from PubChem (CID 159946216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).