9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N,N,21,31-tetraphenyl-1,7,21,31-tetraza-14,26,38-triboratridecacyclo[28.14.2.222,25.12,26.07,24.08,13.014,23.015,20.027,45.032,37.038,46.039,44.06,47]nonatetraconta-2(47),3,5,8,10,12,15,17,19,22,24,27(45),28,30(46),32,34,36,39,41,43,48-henicosaen-4-amine;1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41,43,45,47-henicosaene

C153H100B6N10 — CID 163594381

About 9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N,N,21,31-tetraphenyl-1,7,21,31-tetraza-14,26,38-triboratridecacyclo[28.14.2.222,25.12,26.07,24.08,13.014,23.015,20.027,45.032,37.038,46.039,44.06,47]nonatetraconta-2(47),3,5,8,10,12,15,17,19,22,24,27(45),28,30(46),32,34,36,39,41,43,48-henicosaen-4-amine;1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41,43,45,47-henicosaene

9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N,N,21,31-tetraphenyl-1,7,21,31-tetraza-14,26,38-triboratridecacyclo[28.14.2.222,25.12,26.07,24.08,13.014,23.015,20.027,45.032,37.038,46.039,44.06,47]nonatetraconta-2(47),3,5,8,10,12,15,17,19,22,24,27(45),28,30(46),32,34,36,39,41,43,48-henicosaen-4-amine;1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41,43,45,47-henicosaene (PubChem CID 163594381) has the molecular formula C153H100B6N10 and a molecular weight of 2143.42 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N,N,21,31-tetraphenyl-1,7,21,31-tetraza-14,26,38-triboratridecacyclo[28.14.2.222,25.12,26.07,24.08,13.014,23.015,20.027,45.032,37.038,46.039,44.06,47]nonatetraconta-2(47),3,5,8,10,12,15,17,19,22,24,27(45),28,30(46),32,34,36,39,41,43,48-henicosaen-4-amine;1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41,43,45,47-henicosaene.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N,N,21,31-tetraphenyl-1,7,21,31-tetraza-14,26,38-triboratridecacyclo[28.14.2.222,25.12,26.07,24.08,13.014,23.015,20.027,45.032,37.038,46.039,44.06,47]nonatetraconta-2(47),3,5,8,10,12,15,17,19,22,24,27(45),28,30(46),32,34,36,39,41,43,48-henicosaen-4-amine;1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41,43,45,47-henicosaene
• PubChem CID: 163594381
• Molecular Formula: C153H100B6N10
• Molecular Weight: 2143.42 g/mol
• Exact Mass: 2142.87
• IUPAC Name: 9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N,N,21,31-tetraphenyl-1,7,21,31-tetraza-14,26,38-triboratridecacyclo[28.14.2.222,25.12,26.07,24.08,13.014,23.015,20.027,45.032,37.038,46.039,44.06,47]nonatetraconta-2(47),3,5,8,10,12,15,17,19,22,24,27(45),28,30(46),32,34,36,39,41,43,48-henicosaen-4-amine;1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41,43,45,47-henicosaene
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N2c5ccccc5B5c6ccccc6N(c6ccccc6)c6ccc(c2c65)B4c2ccc4c5c2N3c2ccccc2B5c2ccccc2N4c2ccccc2)cc1.c1ccc2c(c1)B1c3ccccc3N3c4ccccc4B4c5ccccc5N5c6ccccc6B6c7ccccc7N2c2c1c3c4c5c26
• InChI: InChI=1S/C66H42B3N5.C45H34N2.C42H24B3N3/c1-5-21-43(22-6-1)70(44-23-7-2-8-24-44)47-41-60-62-61(42-47)74-57-36-20-16-32-51(57)68-49-30-14-18-34-55(49)72(46-27-11-4-12-28-46)59-40-38-53(66(74)64(59)68)69(62)52-37-39-58-63-65(52)73(60)56-35-19-15-31-50(56)67(63)48-29-13-17-33-54(48)71(58)45-25-9-3-10-26-45;1-45(2)41-19-11-9-17-37(41)38-27-26-36(30-42(38)45)46(33-13-5-3-6-14-33)35-24-21-31(22-25-35)32-23-28-44-40(29-32)39-18-10-12-20-43(39)47(44)34-15-7-4-8-16-34;1-7-19-31-25(13-1)43-26-14-2-8-20-32(26)47-34-22-10-4-16-28(34)45-30-18-6-12-24-36(30)48-35-23-11-5-17-29(35)44-27-15-3-9-21-33(27)46(31)40-37(43)41(47)39(45)42(48)38(40)44/h1-42H;3-30H,1-2H3;1-24H
• InChIKey: GSDUQQCLGLFVSD-UHFFFAOYSA-N
• XLogP: 26.22
• TPSA: 34.09 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2143.42
LogP ≤ 5	26.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N,N,21,31-tetraphenyl-1,7,21,31-tetraza-14,26,38-triboratridecacyclo[28.14.2.222,25.12,26.07,24.08,13.014,23.015,20.027,45.032,37.038,46.039,44.06,47]nonatetraconta-2(47),3,5,8,10,12,15,17,19,22,24,27(45),28,30(46),32,34,36,39,41,43,48-henicosaen-4-amine;1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41,43,45,47-henicosaene?

The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N,N,21,31-tetraphenyl-1,7,21,31-tetraza-14,26,38-triboratridecacyclo[28.14.2.222,25.12,26.07,24.08,13.014,23.015,20.027,45.032,37.038,46.039,44.06,47]nonatetraconta-2(47),3,5,8,10,12,15,17,19,22,24,27(45),28,30(46),32,34,36,39,41,43,48-henicosaen-4-amine;1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41,43,45,47-henicosaene (CID 163594381) is 9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N,N,21,31-tetraphenyl-1,7,21,31-tetraza-14,26,38-triboratridecacyclo[28.14.2.222,25.12,26.07,24.08,13.014,23.015,20.027,45.032,37.038,46.039,44.06,47]nonatetraconta-2(47),3,5,8,10,12,15,17,19,22,24,27(45),28,30(46),32,34,36,39,41,43,48-henicosaen-4-amine;1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41,43,45,47-henicosaene.

What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N,N,21,31-tetraphenyl-1,7,21,31-tetraza-14,26,38-triboratridecacyclo[28.14.2.222,25.12,26.07,24.08,13.014,23.015,20.027,45.032,37.038,46.039,44.06,47]nonatetraconta-2(47),3,5,8,10,12,15,17,19,22,24,27(45),28,30(46),32,34,36,39,41,43,48-henicosaen-4-amine;1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41,43,45,47-henicosaene?

The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N,N,21,31-tetraphenyl-1,7,21,31-tetraza-14,26,38-triboratridecacyclo[28.14.2.222,25.12,26.07,24.08,13.014,23.015,20.027,45.032,37.038,46.039,44.06,47]nonatetraconta-2(47),3,5,8,10,12,15,17,19,22,24,27(45),28,30(46),32,34,36,39,41,43,48-henicosaen-4-amine;1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41,43,45,47-henicosaene is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N2c5ccccc5B5c6ccccc6N(c6ccccc6)c6ccc(c2c65)B4c2ccc4c5c2N3c2ccccc2B5c2ccccc2N4c2ccccc2)cc1.c1ccc2c(c1)B1c3ccccc3N3c4ccccc4B4c5ccccc5N5c6ccccc6B6c7ccccc7N2c2c1c3c4c5c26.

What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N,N,21,31-tetraphenyl-1,7,21,31-tetraza-14,26,38-triboratridecacyclo[28.14.2.222,25.12,26.07,24.08,13.014,23.015,20.027,45.032,37.038,46.039,44.06,47]nonatetraconta-2(47),3,5,8,10,12,15,17,19,22,24,27(45),28,30(46),32,34,36,39,41,43,48-henicosaen-4-amine;1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41,43,45,47-henicosaene?

The InChIKey is GSDUQQCLGLFVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42B3N5.C45H34N2.C42H24B3N3/c1-5-21-43(22-6-1)70(44-23-7-2-8-24-44)47-41-60-62-61(42-47)74-57-36-20-16-32-51(57)68-49-30-14-18-34-55(49)72(46-27-11-4-12-28-46)59-40-38-53(66(74)64(59)68)69(62)52-37-39-58-63-65(52)73(60)56-35-19-15-31-50(56)67(63)48-29-13-17-33-54(48)71(58)45-25-9-3-10-26-45;1-45(2)41-19-11-9-17-37(41)38-27-26-36(30-42(38)45)46(33-13-5-3-6-14-33)35-24-21-31(22-25-35)32-23-28-44-40(29-32)39-18-10-12-20-43(39)47(44)34-15-7-4-8-16-34;1-7-19-31-25(13-1)43-26-14-2-8-20-32(26)47-34-22-10-4-16-28(34)45-30-18-6-12-24-36(30)48-35-23-11-5-17-29(35)44-27-15-3-9-21-33(27)46(31)40-37(43)41(47)39(45)42(48)38(40)44/h1-42H;3-30H,1-2H3;1-24H.

What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N,N,21,31-tetraphenyl-1,7,21,31-tetraza-14,26,38-triboratridecacyclo[28.14.2.222,25.12,26.07,24.08,13.014,23.015,20.027,45.032,37.038,46.039,44.06,47]nonatetraconta-2(47),3,5,8,10,12,15,17,19,22,24,27(45),28,30(46),32,34,36,39,41,43,48-henicosaen-4-amine;1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41,43,45,47-henicosaene?

9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N,N,21,31-tetraphenyl-1,7,21,31-tetraza-14,26,38-triboratridecacyclo[28.14.2.222,25.12,26.07,24.08,13.014,23.015,20.027,45.032,37.038,46.039,44.06,47]nonatetraconta-2(47),3,5,8,10,12,15,17,19,22,24,27(45),28,30(46),32,34,36,39,41,43,48-henicosaen-4-amine;1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41,43,45,47-henicosaene has a molecular weight of 2143.42 g/mol, XLogP of 26.22, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N,N,21,31-tetraphenyl-1,7,21,31-tetraza-14,26,38-triboratridecacyclo[28.14.2.222,25.12,26.07,24.08,13.014,23.015,20.027,45.032,37.038,46.039,44.06,47]nonatetraconta-2(47),3,5,8,10,12,15,17,19,22,24,27(45),28,30(46),32,34,36,39,41,43,48-henicosaen-4-amine;1,15,29-triaza-8,22,36-triboratridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41,43,45,47-henicosaene is sourced from PubChem (CID 163594381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).