9-(12-carbazol-9-yl-4,18-dimethyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-10-yl)carbazole;9-(12-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-10-yl)carbazole;4,18-di(propan-2-yl)-10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-10,12-diamine;10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-10,12-diamine

C200H172B4N8O8 — CID 162137216

About 9-(12-carbazol-9-yl-4,18-dimethyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-10-yl)carbazole;9-(12-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-10-yl)carbazole;4,18-di(propan-2-yl)-10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-10,12-diamine;10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-10,12-diamine

9-(12-carbazol-9-yl-4,18-dimethyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-10-yl)carbazole;9-(12-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-10-yl)carbazole;4,18-di(propan-2-yl)-10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-10,12-diamine;10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-10,12-diamine (PubChem CID 162137216) has the molecular formula C200H172B4N8O8 and a molecular weight of 2858.87 g/mol. Its IUPAC name is 9-(12-carbazol-9-yl-4,18-dimethyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-10-yl)carbazole;9-(12-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-10-yl)carbazole;4,18-di(propan-2-yl)-10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-10,12-diamine;10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-10,12-diamine.

Molecular Properties

• Compound Name: 9-(12-carbazol-9-yl-4,18-dimethyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-10-yl)carbazole;9-(12-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-10-yl)carbazole;4,18-di(propan-2-yl)-10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-10,12-diamine;10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-10,12-diamine
• PubChem CID: 162137216
• Molecular Formula: C200H172B4N8O8
• Molecular Weight: 2858.87 g/mol
• Exact Mass: 2857.37
• IUPAC Name: 9-(12-carbazol-9-yl-4,18-dimethyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-10-yl)carbazole;9-(12-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-10-yl)carbazole;4,18-di(propan-2-yl)-10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-10,12-diamine;10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-10,12-diamine
• SMILES: CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cc(N(c3ccc(C(C)C)cc3)c3ccc(C(C)C)cc3)c3c4c2Oc2ccc(C(C)C)cc2B4c2cc(C(C)C)ccc2O3)cc1.CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cc(N(c3ccc(C(C)C)cc3)c3ccc(C(C)C)cc3)c3c4c2Oc2ccccc2B4c2ccccc2O3)cc1.Cc1ccc2c(c1)B1c3cc(C)ccc3Oc3c(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c(c31)O2.c1ccc2c(c1)Oc1c(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c3c1B2c1ccccc1O3
• InChI: InChI=1S/C60H65BN2O2.C54H53BN2O2.C44H29BN2O2.C42H25BN2O2/c1-36(2)42-13-23-48(24-14-42)62(49-25-15-43(16-26-49)37(3)4)54-35-55(63(50-27-17-44(18-28-50)38(5)6)51-29-19-45(20-30-51)39(7)8)60-58-59(54)64-56-31-21-46(40(9)10)33-52(56)61(58)53-34-47(41(11)12)22-32-57(53)65-60;1-34(2)38-17-25-42(26-18-38)56(43-27-19-39(20-28-43)35(3)4)48-33-49(57(44-29-21-40(22-30-44)36(5)6)45-31-23-41(24-32-45)37(7)8)54-52-53(48)58-50-15-11-9-13-46(50)55(52)47-14-10-12-16-51(47)59-54;1-26-19-21-40-32(23-26)45-33-24-27(2)20-22-41(33)49-44-39(47-36-17-9-5-13-30(36)31-14-6-10-18-37(31)47)25-38(43(48-40)42(44)45)46-34-15-7-3-11-28(34)29-12-4-8-16-35(29)46;1-7-19-32-26(13-1)27-14-2-8-20-33(27)44(32)36-25-37(45-34-21-9-3-15-28(34)29-16-4-10-22-35(29)45)42-40-41(36)46-38-23-11-5-17-30(38)43(40)31-18-6-12-24-39(31)47-42/h13-41H,1-12H3;9-37H,1-8H3;3-25H,1-2H3;1-25H
• InChIKey: ZJLITKJFQVGJJD-UHFFFAOYSA-N
• XLogP: 47.78
• TPSA: 106.52 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2858.87
LogP ≤ 5	47.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(12-carbazol-9-yl-4,18-dimethyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-10-yl)carbazole;9-(12-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-10-yl)carbazole;4,18-di(propan-2-yl)-10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-10,12-diamine;10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-10,12-diamine?

The IUPAC name of 9-(12-carbazol-9-yl-4,18-dimethyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-10-yl)carbazole;9-(12-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-10-yl)carbazole;4,18-di(propan-2-yl)-10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-10,12-diamine;10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-10,12-diamine (CID 162137216) is 9-(12-carbazol-9-yl-4,18-dimethyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-10-yl)carbazole;9-(12-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-10-yl)carbazole;4,18-di(propan-2-yl)-10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-10,12-diamine;10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-10,12-diamine.

What is the SMILES notation for 9-(12-carbazol-9-yl-4,18-dimethyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-10-yl)carbazole;9-(12-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-10-yl)carbazole;4,18-di(propan-2-yl)-10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-10,12-diamine;10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-10,12-diamine?

The canonical SMILES for 9-(12-carbazol-9-yl-4,18-dimethyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-10-yl)carbazole;9-(12-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-10-yl)carbazole;4,18-di(propan-2-yl)-10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-10,12-diamine;10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-10,12-diamine is CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cc(N(c3ccc(C(C)C)cc3)c3ccc(C(C)C)cc3)c3c4c2Oc2ccc(C(C)C)cc2B4c2cc(C(C)C)ccc2O3)cc1.CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cc(N(c3ccc(C(C)C)cc3)c3ccc(C(C)C)cc3)c3c4c2Oc2ccccc2B4c2ccccc2O3)cc1.Cc1ccc2c(c1)B1c3cc(C)ccc3Oc3c(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c(c31)O2.c1ccc2c(c1)Oc1c(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c3c1B2c1ccccc1O3.

What is the InChIKey of 9-(12-carbazol-9-yl-4,18-dimethyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-10-yl)carbazole;9-(12-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-10-yl)carbazole;4,18-di(propan-2-yl)-10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-10,12-diamine;10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-10,12-diamine?

The InChIKey is ZJLITKJFQVGJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H65BN2O2.C54H53BN2O2.C44H29BN2O2.C42H25BN2O2/c1-36(2)42-13-23-48(24-14-42)62(49-25-15-43(16-26-49)37(3)4)54-35-55(63(50-27-17-44(18-28-50)38(5)6)51-29-19-45(20-30-51)39(7)8)60-58-59(54)64-56-31-21-46(40(9)10)33-52(56)61(58)53-34-47(41(11)12)22-32-57(53)65-60;1-34(2)38-17-25-42(26-18-38)56(43-27-19-39(20-28-43)35(3)4)48-33-49(57(44-29-21-40(22-30-44)36(5)6)45-31-23-41(24-32-45)37(7)8)54-52-53(48)58-50-15-11-9-13-46(50)55(52)47-14-10-12-16-51(47)59-54;1-26-19-21-40-32(23-26)45-33-24-27(2)20-22-41(33)49-44-39(47-36-17-9-5-13-30(36)31-14-6-10-18-37(31)47)25-38(43(48-40)42(44)45)46-34-15-7-3-11-28(34)29-12-4-8-16-35(29)46;1-7-19-32-26(13-1)27-14-2-8-20-33(27)44(32)36-25-37(45-34-21-9-3-15-28(34)29-16-4-10-22-35(29)45)42-40-41(36)46-38-23-11-5-17-30(38)43(40)31-18-6-12-24-39(31)47-42/h13-41H,1-12H3;9-37H,1-8H3;3-25H,1-2H3;1-25H.

What are the key properties of 9-(12-carbazol-9-yl-4,18-dimethyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-10-yl)carbazole;9-(12-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-10-yl)carbazole;4,18-di(propan-2-yl)-10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-10,12-diamine;10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-10,12-diamine?

9-(12-carbazol-9-yl-4,18-dimethyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-10-yl)carbazole;9-(12-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-10-yl)carbazole;4,18-di(propan-2-yl)-10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-10,12-diamine;10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-10,12-diamine has a molecular weight of 2858.87 g/mol, XLogP of 47.78, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(12-carbazol-9-yl-4,18-dimethyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-10-yl)carbazole;9-(12-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-10-yl)carbazole;4,18-di(propan-2-yl)-10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-10,12-diamine;10-N,10-N,12-N,12-N-tetrakis(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-10,12-diamine is sourced from PubChem (CID 162137216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).