[3-[3,6-bis(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)carbazol-9-yl]phenyl]-diphenylborane;[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-bis(2,4,6-trimethylphenyl)borane;10-[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-5-phenylbenzo[b][1,4]benzazaborinine;[2,6-bis(9-phenyl-12-quinolin-5-ylindolo[3,2-c]carbazol-5-yl)-4-pyridinyl]-[2,4-dimethyl-6-(trifluoromethyl)phenyl]-[2,4,6-tris(trifluoromethyl)phenyl]borane

C353H221B4F12N39O2 — CID 161289928

About [3-[3,6-bis(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)carbazol-9-yl]phenyl]-diphenylborane;[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-bis(2,4,6-trimethylphenyl)borane;10-[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-5-phenylbenzo[b][1,4]benzazaborinine;[2,6-bis(9-phenyl-12-quinolin-5-ylindolo[3,2-c]carbazol-5-yl)-4-pyridinyl]-[2,4-dimethyl-6-(trifluoromethyl)phenyl]-[2,4,6-tris(trifluoromethyl)phenyl]borane

[3-[3,6-bis(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)carbazol-9-yl]phenyl]-diphenylborane;[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-bis(2,4,6-trimethylphenyl)borane;10-[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-5-phenylbenzo[b][1,4]benzazaborinine;[2,6-bis(9-phenyl-12-quinolin-5-ylindolo[3,2-c]carbazol-5-yl)-4-pyridinyl]-[2,4-dimethyl-6-(trifluoromethyl)phenyl]-[2,4,6-tris(trifluoromethyl)phenyl]borane (PubChem CID 161289928) has the molecular formula C353H221B4F12N39O2 and a molecular weight of 5312.15 g/mol. Its IUPAC name is [3-[3,6-bis(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)carbazol-9-yl]phenyl]-diphenylborane;[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-bis(2,4,6-trimethylphenyl)borane;10-[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-5-phenylbenzo[b][1,4]benzazaborinine;[2,6-bis(9-phenyl-12-quinolin-5-ylindolo[3,2-c]carbazol-5-yl)-4-pyridinyl]-[2,4-dimethyl-6-(trifluoromethyl)phenyl]-[2,4,6-tris(trifluoromethyl)phenyl]borane.

Molecular Properties

• Compound Name: [3-[3,6-bis(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)carbazol-9-yl]phenyl]-diphenylborane;[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-bis(2,4,6-trimethylphenyl)borane;10-[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-5-phenylbenzo[b][1,4]benzazaborinine;[2,6-bis(9-phenyl-12-quinolin-5-ylindolo[3,2-c]carbazol-5-yl)-4-pyridinyl]-[2,4-dimethyl-6-(trifluoromethyl)phenyl]-[2,4,6-tris(trifluoromethyl)phenyl]borane
• PubChem CID: 161289928
• Molecular Formula: C353H221B4F12N39O2
• Molecular Weight: 5312.15 g/mol
• Exact Mass: 5308.86
• IUPAC Name: [3-[3,6-bis(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)carbazol-9-yl]phenyl]-diphenylborane;[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-bis(2,4,6-trimethylphenyl)borane;10-[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-5-phenylbenzo[b][1,4]benzazaborinine;[2,6-bis(9-phenyl-12-quinolin-5-ylindolo[3,2-c]carbazol-5-yl)-4-pyridinyl]-[2,4-dimethyl-6-(trifluoromethyl)phenyl]-[2,4,6-tris(trifluoromethyl)phenyl]borane
• SMILES: Cc1cc(C)c(B(c2cc(-n3c4ccccc4c4c3ccc3c5cc(-c6ccccc6)ccc5n(-c5cccc6ncccc56)c34)nc(-n3c4ccccc4c4c3ccc3c5cc(-c6ccccc6)ccc5n(-c5cccc6ncccc56)c34)c2)c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1cc(C)c(B(c2nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)n2)c2c(C)cc(C)cc2C)c(C)c1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(B6c7ccccc7N(c7ccccc7)c7ccccc76)nc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c67)n5)c43)n2)cc1.c1ccc(B(c2ccccc2)c2cccc(-n3c4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccc8oc9ccccc9c8c7)c56)cc4c4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccc8oc9ccccc9c8c7)c56)ccc43)c2)cc1
• InChI: InChI=1S/C90H54BN5O2.C89H52BF12N7.C87H53BN14.C87H62BN13/c1-3-20-55(21-4-1)91(56-22-5-2-6-23-56)57-24-19-25-58(50-57)92-79-44-38-59(93-77-34-15-9-30-69(77)87-81(93)46-42-67-63-26-7-13-32-75(63)95(89(67)87)61-40-48-85-73(53-61)65-28-11-17-36-83(65)97-85)51-71(79)72-52-60(39-45-80(72)92)94-78-35-16-10-31-70(78)88-82(94)47-43-68-64-27-8-14-33-76(64)96(90(68)88)62-41-49-86-74(54-62)66-29-12-18-37-84(66)98-86;1-49-41-50(2)82(65(42-49)87(94,95)96)90(83-66(88(97,98)99)45-55(86(91,92)93)46-67(83)89(100,101)102)56-47-78(106-72-27-11-9-21-61(72)80-76(106)37-33-57-63-43-53(51-17-5-3-6-18-51)31-35-74(63)108(84(57)80)70-29-13-25-68-59(70)23-15-39-103-68)105-79(48-56)107-73-28-12-10-22-62(73)81-77(107)38-34-58-64-44-54(52-19-7-4-8-20-52)32-36-75(64)109(85(58)81)71-30-14-26-69-60(71)24-16-40-104-69;1-6-28-54(29-7-1)79-89-80(55-30-8-2-9-31-55)92-84(91-79)101-67-44-22-16-38-59(67)61-50-52-73-75(77(61)101)63-40-18-24-46-69(63)99(73)86-95-83(88-65-42-20-26-48-71(65)98(58-36-14-5-15-37-58)72-49-27-21-43-66(72)88)96-87(97-86)100-70-47-25-19-41-64(70)76-74(100)53-51-62-60-39-17-23-45-68(60)102(78(62)76)85-93-81(56-32-10-3-11-33-56)90-82(94-85)57-34-12-4-13-35-57;1-51-47-53(3)75(54(4)48-51)88(76-55(5)49-52(2)50-56(76)6)83-95-86(98-69-41-25-21-37-65(69)73-71(98)45-43-63-61-35-19-23-39-67(61)100(77(63)73)84-91-79(57-27-11-7-12-28-57)89-80(92-84)58-29-13-8-14-30-58)97-87(96-83)99-70-42-26-22-38-66(70)74-72(99)46-44-64-62-36-20-24-40-68(62)101(78(64)74)85-93-81(59-31-15-9-16-32-59)90-82(94-85)60-33-17-10-18-34-60/h1-54H;3-48H,1-2H3;1-53H;7-50H,1-6H3
• InChIKey: VGFFYXNDLMWBKV-UHFFFAOYSA-N
• XLogP: 79.86
• TPSA: 384.02 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 38
• Heavy Atoms: 410
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5312.15
LogP ≤ 5	79.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of [3-[3,6-bis(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)carbazol-9-yl]phenyl]-diphenylborane;[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-bis(2,4,6-trimethylphenyl)borane;10-[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-5-phenylbenzo[b][1,4]benzazaborinine;[2,6-bis(9-phenyl-12-quinolin-5-ylindolo[3,2-c]carbazol-5-yl)-4-pyridinyl]-[2,4-dimethyl-6-(trifluoromethyl)phenyl]-[2,4,6-tris(trifluoromethyl)phenyl]borane?

The IUPAC name of [3-[3,6-bis(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)carbazol-9-yl]phenyl]-diphenylborane;[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-bis(2,4,6-trimethylphenyl)borane;10-[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-5-phenylbenzo[b][1,4]benzazaborinine;[2,6-bis(9-phenyl-12-quinolin-5-ylindolo[3,2-c]carbazol-5-yl)-4-pyridinyl]-[2,4-dimethyl-6-(trifluoromethyl)phenyl]-[2,4,6-tris(trifluoromethyl)phenyl]borane (CID 161289928) is [3-[3,6-bis(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)carbazol-9-yl]phenyl]-diphenylborane;[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-bis(2,4,6-trimethylphenyl)borane;10-[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-5-phenylbenzo[b][1,4]benzazaborinine;[2,6-bis(9-phenyl-12-quinolin-5-ylindolo[3,2-c]carbazol-5-yl)-4-pyridinyl]-[2,4-dimethyl-6-(trifluoromethyl)phenyl]-[2,4,6-tris(trifluoromethyl)phenyl]borane.

What is the SMILES notation for [3-[3,6-bis(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)carbazol-9-yl]phenyl]-diphenylborane;[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-bis(2,4,6-trimethylphenyl)borane;10-[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-5-phenylbenzo[b][1,4]benzazaborinine;[2,6-bis(9-phenyl-12-quinolin-5-ylindolo[3,2-c]carbazol-5-yl)-4-pyridinyl]-[2,4-dimethyl-6-(trifluoromethyl)phenyl]-[2,4,6-tris(trifluoromethyl)phenyl]borane?

The canonical SMILES for [3-[3,6-bis(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)carbazol-9-yl]phenyl]-diphenylborane;[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-bis(2,4,6-trimethylphenyl)borane;10-[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-5-phenylbenzo[b][1,4]benzazaborinine;[2,6-bis(9-phenyl-12-quinolin-5-ylindolo[3,2-c]carbazol-5-yl)-4-pyridinyl]-[2,4-dimethyl-6-(trifluoromethyl)phenyl]-[2,4,6-tris(trifluoromethyl)phenyl]borane is Cc1cc(C)c(B(c2cc(-n3c4ccccc4c4c3ccc3c5cc(-c6ccccc6)ccc5n(-c5cccc6ncccc56)c34)nc(-n3c4ccccc4c4c3ccc3c5cc(-c6ccccc6)ccc5n(-c5cccc6ncccc56)c34)c2)c2c(C(F)(F)F)cc(C(F)(F)F)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1cc(C)c(B(c2nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)n2)c2c(C)cc(C)cc2C)c(C)c1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(B6c7ccccc7N(c7ccccc7)c7ccccc76)nc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c67)n5)c43)n2)cc1.c1ccc(B(c2ccccc2)c2cccc(-n3c4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccc8oc9ccccc9c8c7)c56)cc4c4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccc8oc9ccccc9c8c7)c56)ccc43)c2)cc1.

What is the InChIKey of [3-[3,6-bis(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)carbazol-9-yl]phenyl]-diphenylborane;[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-bis(2,4,6-trimethylphenyl)borane;10-[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-5-phenylbenzo[b][1,4]benzazaborinine;[2,6-bis(9-phenyl-12-quinolin-5-ylindolo[3,2-c]carbazol-5-yl)-4-pyridinyl]-[2,4-dimethyl-6-(trifluoromethyl)phenyl]-[2,4,6-tris(trifluoromethyl)phenyl]borane?

The InChIKey is VGFFYXNDLMWBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54BN5O2.C89H52BF12N7.C87H53BN14.C87H62BN13/c1-3-20-55(21-4-1)91(56-22-5-2-6-23-56)57-24-19-25-58(50-57)92-79-44-38-59(93-77-34-15-9-30-69(77)87-81(93)46-42-67-63-26-7-13-32-75(63)95(89(67)87)61-40-48-85-73(53-61)65-28-11-17-36-83(65)97-85)51-71(79)72-52-60(39-45-80(72)92)94-78-35-16-10-31-70(78)88-82(94)47-43-68-64-27-8-14-33-76(64)96(90(68)88)62-41-49-86-74(54-62)66-29-12-18-37-84(66)98-86;1-49-41-50(2)82(65(42-49)87(94,95)96)90(83-66(88(97,98)99)45-55(86(91,92)93)46-67(83)89(100,101)102)56-47-78(106-72-27-11-9-21-61(72)80-76(106)37-33-57-63-43-53(51-17-5-3-6-18-51)31-35-74(63)108(84(57)80)70-29-13-25-68-59(70)23-15-39-103-68)105-79(48-56)107-73-28-12-10-22-62(73)81-77(107)38-34-58-64-44-54(52-19-7-4-8-20-52)32-36-75(64)109(85(58)81)71-30-14-26-69-60(71)24-16-40-104-69;1-6-28-54(29-7-1)79-89-80(55-30-8-2-9-31-55)92-84(91-79)101-67-44-22-16-38-59(67)61-50-52-73-75(77(61)101)63-40-18-24-46-69(63)99(73)86-95-83(88-65-42-20-26-48-71(65)98(58-36-14-5-15-37-58)72-49-27-21-43-66(72)88)96-87(97-86)100-70-47-25-19-41-64(70)76-74(100)53-51-62-60-39-17-23-45-68(60)102(78(62)76)85-93-81(56-32-10-3-11-33-56)90-82(94-85)57-34-12-4-13-35-57;1-51-47-53(3)75(54(4)48-51)88(76-55(5)49-52(2)50-56(76)6)83-95-86(98-69-41-25-21-37-65(69)73-71(98)45-43-63-61-35-19-23-39-67(61)100(77(63)73)84-91-79(57-27-11-7-12-28-57)89-80(92-84)58-29-13-8-14-30-58)97-87(96-83)99-70-42-26-22-38-66(70)74-72(99)46-44-64-62-36-20-24-40-68(62)101(78(64)74)85-93-81(59-31-15-9-16-32-59)90-82(94-85)60-33-17-10-18-34-60/h1-54H;3-48H,1-2H3;1-53H;7-50H,1-6H3.

What are the key properties of [3-[3,6-bis(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)carbazol-9-yl]phenyl]-diphenylborane;[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-bis(2,4,6-trimethylphenyl)borane;10-[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-5-phenylbenzo[b][1,4]benzazaborinine;[2,6-bis(9-phenyl-12-quinolin-5-ylindolo[3,2-c]carbazol-5-yl)-4-pyridinyl]-[2,4-dimethyl-6-(trifluoromethyl)phenyl]-[2,4,6-tris(trifluoromethyl)phenyl]borane?

[3-[3,6-bis(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)carbazol-9-yl]phenyl]-diphenylborane;[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-bis(2,4,6-trimethylphenyl)borane;10-[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-5-phenylbenzo[b][1,4]benzazaborinine;[2,6-bis(9-phenyl-12-quinolin-5-ylindolo[3,2-c]carbazol-5-yl)-4-pyridinyl]-[2,4-dimethyl-6-(trifluoromethyl)phenyl]-[2,4,6-tris(trifluoromethyl)phenyl]borane has a molecular weight of 5312.15 g/mol, XLogP of 79.86, 38 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3,6-bis(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)carbazol-9-yl]phenyl]-diphenylborane;[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-bis(2,4,6-trimethylphenyl)borane;10-[4,6-bis[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-1,3,5-triazin-2-yl]-5-phenylbenzo[b][1,4]benzazaborinine;[2,6-bis(9-phenyl-12-quinolin-5-ylindolo[3,2-c]carbazol-5-yl)-4-pyridinyl]-[2,4-dimethyl-6-(trifluoromethyl)phenyl]-[2,4,6-tris(trifluoromethyl)phenyl]borane is sourced from PubChem (CID 161289928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).