N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,17-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(2-phenylphenyl)-4,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

C192H184B3N9 — CID 163479390

About N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,17-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(2-phenylphenyl)-4,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,17-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(2-phenylphenyl)-4,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (PubChem CID 163479390) has the molecular formula C192H184B3N9 and a molecular weight of 2650.08 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,17-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(2-phenylphenyl)-4,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,17-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(2-phenylphenyl)-4,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
• PubChem CID: 163479390
• Molecular Formula: C192H184B3N9
• Molecular Weight: 2650.08 g/mol
• Exact Mass: 2648.50
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,17-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(2-phenylphenyl)-4,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
• SMILES: CC(C)c1ccc(N2c3cc(C(C)C)ccc3B3c4ccc(C(C)C)cc4N(c4ccc(C(C)C)cc4)c4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc2c43)cc1.CC(C)c1ccc(N2c3ccc(C(C)C)cc3B3c4cc(C(C)C)ccc4N(c4ccc(C(C)C)cc4)c4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc2c43)cc1.CC(C)c1ccc(N2c3ccc(C(C)C)cc3B3c4cc(C(C)C)ccc4N(c4ccccc4-c4ccccc4)c4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc2c43)cc1
• InChI: InChI=1S/C66H60BN3.2C63H62BN3/c1-42(2)45-27-31-50(32-28-45)69-61-35-29-47(43(3)4)37-58(61)67-59-38-48(44(5)6)30-36-62(59)70(60-26-18-16-23-53(60)46-19-11-9-12-20-46)64-41-52(40-63(69)65(64)67)68(49-21-13-10-14-22-49)51-33-34-55-54-24-15-17-25-56(54)66(7,8)57(55)39-51;1-39(2)43-20-26-48(27-21-43)66-58-32-24-45(41(5)6)34-56(58)64-57-35-46(42(7)8)25-33-59(57)67(49-28-22-44(23-29-49)40(3)4)61-38-51(37-60(66)62(61)64)65(47-16-12-11-13-17-47)50-30-31-53-52-18-14-15-19-54(52)63(9,10)55(53)36-50;1-39(2)43-20-26-48(27-21-43)66-58-34-45(41(5)6)24-32-56(58)64-57-33-25-46(42(7)8)35-59(57)67(49-28-22-44(23-29-49)40(3)4)61-38-51(37-60(66)62(61)64)65(47-16-12-11-13-17-47)50-30-31-53-52-18-14-15-19-54(52)63(9,10)55(53)36-50/h9-44H,1-8H3;2*11-42H,1-10H3
• InChIKey: CDEZQYNHONXWGQ-UHFFFAOYSA-N
• XLogP: 48.66
• TPSA: 29.16 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 27
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2650.08
LogP ≤ 5	48.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,17-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(2-phenylphenyl)-4,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,17-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(2-phenylphenyl)-4,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (CID 163479390) is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,17-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(2-phenylphenyl)-4,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,17-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(2-phenylphenyl)-4,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,17-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(2-phenylphenyl)-4,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is CC(C)c1ccc(N2c3cc(C(C)C)ccc3B3c4ccc(C(C)C)cc4N(c4ccc(C(C)C)cc4)c4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc2c43)cc1.CC(C)c1ccc(N2c3ccc(C(C)C)cc3B3c4cc(C(C)C)ccc4N(c4ccc(C(C)C)cc4)c4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc2c43)cc1.CC(C)c1ccc(N2c3ccc(C(C)C)cc3B3c4cc(C(C)C)ccc4N(c4ccccc4-c4ccccc4)c4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc2c43)cc1.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,17-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(2-phenylphenyl)-4,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The InChIKey is CDEZQYNHONXWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H60BN3.2C63H62BN3/c1-42(2)45-27-31-50(32-28-45)69-61-35-29-47(43(3)4)37-58(61)67-59-38-48(44(5)6)30-36-62(59)70(60-26-18-16-23-53(60)46-19-11-9-12-20-46)64-41-52(40-63(69)65(64)67)68(49-21-13-10-14-22-49)51-33-34-55-54-24-15-17-25-56(54)66(7,8)57(55)39-51;1-39(2)43-20-26-48(27-21-43)66-58-32-24-45(41(5)6)34-56(58)64-57-35-46(42(7)8)25-33-59(57)67(49-28-22-44(23-29-49)40(3)4)61-38-51(37-60(66)62(61)64)65(47-16-12-11-13-17-47)50-30-31-53-52-18-14-15-19-54(52)63(9,10)55(53)36-50;1-39(2)43-20-26-48(27-21-43)66-58-34-45(41(5)6)24-32-56(58)64-57-33-25-46(42(7)8)35-59(57)67(49-28-22-44(23-29-49)40(3)4)61-38-51(37-60(66)62(61)64)65(47-16-12-11-13-17-47)50-30-31-53-52-18-14-15-19-54(52)63(9,10)55(53)36-50/h9-44H,1-8H3;2*11-42H,1-10H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,17-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(2-phenylphenyl)-4,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,17-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(2-phenylphenyl)-4,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine has a molecular weight of 2650.08 g/mol, XLogP of 48.66, 27 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,17-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(2-phenylphenyl)-4,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is sourced from PubChem (CID 163479390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).