5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenoxazine;5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenoxazine

C378H414B12N6O2S2Si2 — CID 157114657

About 5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenoxazine;5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenoxazine

5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenoxazine;5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenoxazine (PubChem CID 157114657) has the molecular formula C378H414B12N6O2S2Si2 and a molecular weight of 5323.56 g/mol. Its IUPAC name is 5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenoxazine;5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenoxazine.

Molecular Properties

• Compound Name: 5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenoxazine;5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenoxazine
• PubChem CID: 157114657
• Molecular Formula: C378H414B12N6O2S2Si2
• Molecular Weight: 5323.56 g/mol
• Exact Mass: 5321.26
• IUPAC Name: 5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenoxazine;5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenoxazine
• SMILES: CC(C)c1cc(C(C)C)c(B2c3ccccc3B(c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3cc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3B(c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3cc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3B(c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3cc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3B(c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3cc(-c4ccc(N5c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc65)cc4)ccc32)c(C(C)C)c1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccc(-c2ccc3c(c2)B(c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2ccccc2B3c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1.Cc1ccc2c(c1)Sc1cc(C)ccc1N2c1ccc(-c2ccc3c(c2)B(c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2ccccc2B3c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1
• InChI: InChI=1S/C72H75B2NSi.C62H69B2NO.C62H69B2NS.C62H71B2NSi.C60H65B2NO.C60H65B2NS/c1-46(2)54-41-59(48(5)6)71(60(42-54)49(7)8)73-63-29-19-20-30-64(63)74(72-61(50(9)10)43-55(47(3)4)44-62(72)51(11)12)66-45-53(37-40-65(66)73)52-35-38-56(39-36-52)75-67-31-21-23-33-69(67)76(57-25-15-13-16-26-57,58-27-17-14-18-28-58)70-34-24-22-32-68(70)75;2*1-36(2)46-31-49(38(5)6)61(50(32-46)39(7)8)63-53-17-15-16-18-54(53)64(62-51(40(9)10)33-47(37(3)4)34-52(62)41(11)12)56-35-45(23-26-55(56)63)44-21-24-48(25-22-44)65-57-27-19-42(13)29-59(57)66-60-30-43(14)20-28-58(60)65;1-38(2)46-33-49(40(5)6)61(50(34-46)41(7)8)63-53-21-15-16-22-54(53)64(62-51(42(9)10)35-47(39(3)4)36-52(62)43(11)12)56-37-45(29-32-55(56)63)44-27-30-48(31-28-44)65-57-23-17-19-25-59(57)66(13,14)60-26-20-18-24-58(60)65;2*1-36(2)44-31-47(38(5)6)59(48(32-44)39(7)8)61-51-19-13-14-20-52(51)62(60-49(40(9)10)33-45(37(3)4)34-50(60)41(11)12)54-35-43(27-30-53(54)61)42-25-28-46(29-26-42)63-55-21-15-17-23-57(55)64-58-24-18-16-22-56(58)63/h13-51H,1-12H3;2*15-41H,1-14H3;15-43H,1-14H3;2*13-41H,1-12H3
• InChIKey: AHGFYFLFCVGPLE-UHFFFAOYSA-N
• XLogP: 78.66
• TPSA: 37.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 62
• Heavy Atoms: 402
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	5323.56
LogP ≤ 5	78.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenoxazine;5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenoxazine?

The IUPAC name of 5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenoxazine;5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenoxazine (CID 157114657) is 5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenoxazine;5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenoxazine.

What is the SMILES notation for 5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenoxazine;5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenoxazine?

The canonical SMILES for 5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenoxazine;5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenoxazine is CC(C)c1cc(C(C)C)c(B2c3ccccc3B(c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3cc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3B(c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3cc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3B(c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3cc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3B(c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3cc(-c4ccc(N5c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc65)cc4)ccc32)c(C(C)C)c1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccc(-c2ccc3c(c2)B(c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2ccccc2B3c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1.Cc1ccc2c(c1)Sc1cc(C)ccc1N2c1ccc(-c2ccc3c(c2)B(c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2ccccc2B3c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1.

What is the InChIKey of 5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenoxazine;5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenoxazine?

The InChIKey is AHGFYFLFCVGPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H75B2NSi.C62H69B2NO.C62H69B2NS.C62H71B2NSi.C60H65B2NO.C60H65B2NS/c1-46(2)54-41-59(48(5)6)71(60(42-54)49(7)8)73-63-29-19-20-30-64(63)74(72-61(50(9)10)43-55(47(3)4)44-62(72)51(11)12)66-45-53(37-40-65(66)73)52-35-38-56(39-36-52)75-67-31-21-23-33-69(67)76(57-25-15-13-16-26-57,58-27-17-14-18-28-58)70-34-24-22-32-68(70)75;2*1-36(2)46-31-49(38(5)6)61(50(32-46)39(7)8)63-53-17-15-16-18-54(53)64(62-51(40(9)10)33-47(37(3)4)34-52(62)41(11)12)56-35-45(23-26-55(56)63)44-21-24-48(25-22-44)65-57-27-19-42(13)29-59(57)66-60-30-43(14)20-28-58(60)65;1-38(2)46-33-49(40(5)6)61(50(34-46)41(7)8)63-53-21-15-16-22-54(53)64(62-51(42(9)10)35-47(39(3)4)36-52(62)43(11)12)56-37-45(29-32-55(56)63)44-27-30-48(31-28-44)65-57-23-17-19-25-59(57)66(13,14)60-26-20-18-24-58(60)65;2*1-36(2)44-31-47(38(5)6)59(48(32-44)39(7)8)61-51-19-13-14-20-52(51)62(60-49(40(9)10)33-45(37(3)4)34-50(60)41(11)12)54-35-43(27-30-53(54)61)42-25-28-46(29-26-42)63-55-21-15-17-23-57(55)64-58-24-18-16-22-56(58)63/h13-51H,1-12H3;2*15-41H,1-14H3;15-43H,1-14H3;2*13-41H,1-12H3.

What are the key properties of 5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenoxazine;5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenoxazine?

5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenoxazine;5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenoxazine has a molecular weight of 5323.56 g/mol, XLogP of 78.66, 62 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-3,7-dimethylphenoxazine;5-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenothiazine;10-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 157114657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).