7,7,14,14-tetramethyl-2,9,12-triphenyl-5-[3-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)phenyl]quinolino[2,3-b]acridine;2,13,13-trimethyl-12-phenyl-5-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)indolo[2,3-a]acridine;6,8,8-trimethyl-13-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-[1,4]benzoxathiino[2,3-c]acridine

C152H108B3N5O8S — CID 157321375

About 7,7,14,14-tetramethyl-2,9,12-triphenyl-5-[3-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)phenyl]quinolino[2,3-b]acridine;2,13,13-trimethyl-12-phenyl-5-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)indolo[2,3-a]acridine;6,8,8-trimethyl-13-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-[1,4]benzoxathiino[2,3-c]acridine

7,7,14,14-tetramethyl-2,9,12-triphenyl-5-[3-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)phenyl]quinolino[2,3-b]acridine;2,13,13-trimethyl-12-phenyl-5-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)indolo[2,3-a]acridine;6,8,8-trimethyl-13-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-[1,4]benzoxathiino[2,3-c]acridine (PubChem CID 157321375) has the molecular formula C152H108B3N5O8S and a molecular weight of 2197.07 g/mol. Its IUPAC name is 7,7,14,14-tetramethyl-2,9,12-triphenyl-5-[3-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)phenyl]quinolino[2,3-b]acridine;2,13,13-trimethyl-12-phenyl-5-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)indolo[2,3-a]acridine;6,8,8-trimethyl-13-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-[1,4]benzoxathiino[2,3-c]acridine.

Molecular Properties

• Compound Name: 7,7,14,14-tetramethyl-2,9,12-triphenyl-5-[3-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)phenyl]quinolino[2,3-b]acridine;2,13,13-trimethyl-12-phenyl-5-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)indolo[2,3-a]acridine;6,8,8-trimethyl-13-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-[1,4]benzoxathiino[2,3-c]acridine
• PubChem CID: 157321375
• Molecular Formula: C152H108B3N5O8S
• Molecular Weight: 2197.07 g/mol
• Exact Mass: 2195.82
• IUPAC Name: 7,7,14,14-tetramethyl-2,9,12-triphenyl-5-[3-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)phenyl]quinolino[2,3-b]acridine;2,13,13-trimethyl-12-phenyl-5-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)indolo[2,3-a]acridine;6,8,8-trimethyl-13-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-[1,4]benzoxathiino[2,3-c]acridine
• SMILES: CC1(C)c2cc(-c3ccccc3)ccc2N(c2ccccc2)c2cc3c(cc21)N(c1cccc(-c2ccc4c(c2)Oc2ccccc2B4c2ccccc2)c1)c1ccc(-c2ccccc2)cc1C3(C)C.Cc1cc2c(c3c1Oc1ccccc1S3)N(c1cc3c4c(c1)Oc1cccc5c1B4c1c(cccc1O3)O5)c1ccccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1c(ccc3c4ccccc4n(-c4ccccc4)c13)N2c1cc2c3c(c1)Oc1cccc4c1B3c1c(cccc1O2)O4
• InChI: InChI=1S/C66H51BN2O.C46H31BN2O3.C40H26BNO4S/c1-65(2)53-39-47(44-20-9-5-10-21-44)33-36-59(53)68(51-27-15-8-16-28-51)61-42-56-62(43-55(61)65)69(60-37-34-48(40-54(60)66(56,3)4)45-22-11-6-12-23-45)52-29-19-24-46(38-52)49-32-35-58-64(41-49)70-63-31-18-17-30-57(63)67(58)50-25-13-7-14-26-50;1-26-19-21-33-31(23-26)46(2,3)41-34(22-20-30-29-13-7-8-14-32(29)49(45(30)41)27-11-5-4-6-12-27)48(33)28-24-39-44-40(25-28)52-38-18-10-16-36-43(38)47(44)42-35(50-36)15-9-17-37(42)51-39;1-21-18-24-37(39-38(21)46-26-12-6-7-17-33(26)47-39)42(25-11-5-4-10-23(25)40(24,2)3)22-19-31-36-32(20-22)45-30-16-9-14-28-35(30)41(36)34-27(43-28)13-8-15-29(34)44-31/h5-43H,1-4H3;4-25H,1-3H3;4-20H,1-3H3
• InChIKey: BEEYLCCXVQVLOF-UHFFFAOYSA-N
• XLogP: 34.76
• TPSA: 91.73 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2197.07
LogP ≤ 5	34.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7,7,14,14-tetramethyl-2,9,12-triphenyl-5-[3-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)phenyl]quinolino[2,3-b]acridine;2,13,13-trimethyl-12-phenyl-5-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)indolo[2,3-a]acridine;6,8,8-trimethyl-13-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-[1,4]benzoxathiino[2,3-c]acridine?

The IUPAC name of 7,7,14,14-tetramethyl-2,9,12-triphenyl-5-[3-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)phenyl]quinolino[2,3-b]acridine;2,13,13-trimethyl-12-phenyl-5-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)indolo[2,3-a]acridine;6,8,8-trimethyl-13-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-[1,4]benzoxathiino[2,3-c]acridine (CID 157321375) is 7,7,14,14-tetramethyl-2,9,12-triphenyl-5-[3-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)phenyl]quinolino[2,3-b]acridine;2,13,13-trimethyl-12-phenyl-5-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)indolo[2,3-a]acridine;6,8,8-trimethyl-13-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-[1,4]benzoxathiino[2,3-c]acridine.

What is the SMILES notation for 7,7,14,14-tetramethyl-2,9,12-triphenyl-5-[3-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)phenyl]quinolino[2,3-b]acridine;2,13,13-trimethyl-12-phenyl-5-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)indolo[2,3-a]acridine;6,8,8-trimethyl-13-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-[1,4]benzoxathiino[2,3-c]acridine?

The canonical SMILES for 7,7,14,14-tetramethyl-2,9,12-triphenyl-5-[3-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)phenyl]quinolino[2,3-b]acridine;2,13,13-trimethyl-12-phenyl-5-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)indolo[2,3-a]acridine;6,8,8-trimethyl-13-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-[1,4]benzoxathiino[2,3-c]acridine is CC1(C)c2cc(-c3ccccc3)ccc2N(c2ccccc2)c2cc3c(cc21)N(c1cccc(-c2ccc4c(c2)Oc2ccccc2B4c2ccccc2)c1)c1ccc(-c2ccccc2)cc1C3(C)C.Cc1cc2c(c3c1Oc1ccccc1S3)N(c1cc3c4c(c1)Oc1cccc5c1B4c1c(cccc1O3)O5)c1ccccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1c(ccc3c4ccccc4n(-c4ccccc4)c13)N2c1cc2c3c(c1)Oc1cccc4c1B3c1c(cccc1O2)O4.

What is the InChIKey of 7,7,14,14-tetramethyl-2,9,12-triphenyl-5-[3-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)phenyl]quinolino[2,3-b]acridine;2,13,13-trimethyl-12-phenyl-5-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)indolo[2,3-a]acridine;6,8,8-trimethyl-13-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-[1,4]benzoxathiino[2,3-c]acridine?

The InChIKey is BEEYLCCXVQVLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51BN2O.C46H31BN2O3.C40H26BNO4S/c1-65(2)53-39-47(44-20-9-5-10-21-44)33-36-59(53)68(51-27-15-8-16-28-51)61-42-56-62(43-55(61)65)69(60-37-34-48(40-54(60)66(56,3)4)45-22-11-6-12-23-45)52-29-19-24-46(38-52)49-32-35-58-64(41-49)70-63-31-18-17-30-57(63)67(58)50-25-13-7-14-26-50;1-26-19-21-33-31(23-26)46(2,3)41-34(22-20-30-29-13-7-8-14-32(29)49(45(30)41)27-11-5-4-6-12-27)48(33)28-24-39-44-40(25-28)52-38-18-10-16-36-43(38)47(44)42-35(50-36)15-9-17-37(42)51-39;1-21-18-24-37(39-38(21)46-26-12-6-7-17-33(26)47-39)42(25-11-5-4-10-23(25)40(24,2)3)22-19-31-36-32(20-22)45-30-16-9-14-28-35(30)41(36)34-27(43-28)13-8-15-29(34)44-31/h5-43H,1-4H3;4-25H,1-3H3;4-20H,1-3H3.

What are the key properties of 7,7,14,14-tetramethyl-2,9,12-triphenyl-5-[3-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)phenyl]quinolino[2,3-b]acridine;2,13,13-trimethyl-12-phenyl-5-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)indolo[2,3-a]acridine;6,8,8-trimethyl-13-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-[1,4]benzoxathiino[2,3-c]acridine?

7,7,14,14-tetramethyl-2,9,12-triphenyl-5-[3-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)phenyl]quinolino[2,3-b]acridine;2,13,13-trimethyl-12-phenyl-5-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)indolo[2,3-a]acridine;6,8,8-trimethyl-13-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-[1,4]benzoxathiino[2,3-c]acridine has a molecular weight of 2197.07 g/mol, XLogP of 34.76, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7,14,14-tetramethyl-2,9,12-triphenyl-5-[3-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)phenyl]quinolino[2,3-b]acridine;2,13,13-trimethyl-12-phenyl-5-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)indolo[2,3-a]acridine;6,8,8-trimethyl-13-(8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-[1,4]benzoxathiino[2,3-c]acridine is sourced from PubChem (CID 157321375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).