29-carbazol-9-yl-N,N-bis(4-phenylphenyl)-20,26-di(triphenylen-2-yl)-20,26-diaza-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27(32),28,30-pentadecaen-23-amine

C102H63BN4 — CID 168843356

About 29-carbazol-9-yl-N,N-bis(4-phenylphenyl)-20,26-di(triphenylen-2-yl)-20,26-diaza-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27(32),28,30-pentadecaen-23-amine

29-carbazol-9-yl-N,N-bis(4-phenylphenyl)-20,26-di(triphenylen-2-yl)-20,26-diaza-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27(32),28,30-pentadecaen-23-amine (PubChem CID 168843356) has the molecular formula C102H63BN4 and a molecular weight of 1355.47 g/mol. Its IUPAC name is 29-carbazol-9-yl-N,N-bis(4-phenylphenyl)-20,26-di(triphenylen-2-yl)-20,26-diaza-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27(32),28,30-pentadecaen-23-amine.

Molecular Properties

• Compound Name: 29-carbazol-9-yl-N,N-bis(4-phenylphenyl)-20,26-di(triphenylen-2-yl)-20,26-diaza-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27(32),28,30-pentadecaen-23-amine
• PubChem CID: 168843356
• Molecular Formula: C102H63BN4
• Molecular Weight: 1355.47 g/mol
• Exact Mass: 1354.51
• IUPAC Name: 29-carbazol-9-yl-N,N-bis(4-phenylphenyl)-20,26-di(triphenylen-2-yl)-20,26-diaza-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27(32),28,30-pentadecaen-23-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5c(c3)N(c3ccc6c7ccccc7c7ccccc7c6c3)c3cc6c7ccccc7c7ccccc7c6cc3B5c3ccc(-n5c6ccccc6c6ccccc65)cc3N4c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
• InChI: InChI=1S/C102H63BN4/c1-3-23-64(24-4-1)66-43-47-68(48-44-66)104(69-49-45-67(46-50-69)65-25-5-2-6-26-65)73-60-100-102-101(61-73)107(71-52-55-87-81-34-10-8-28-75(81)77-30-12-16-36-83(77)91(87)58-71)99-63-93-85-38-18-14-32-79(85)78-31-13-17-37-84(78)92(93)62-95(99)103(102)94-56-53-72(105-96-41-21-19-39-88(96)89-40-20-22-42-97(89)105)59-98(94)106(100)70-51-54-86-80-33-9-7-27-74(80)76-29-11-15-35-82(76)90(86)57-70/h1-63H
• InChIKey: YAWNRYWBJWMYBH-UHFFFAOYSA-N
• XLogP: 26.05
• TPSA: 14.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1355.47
LogP ≤ 5	26.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 29-carbazol-9-yl-N,N-bis(4-phenylphenyl)-20,26-di(triphenylen-2-yl)-20,26-diaza-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27(32),28,30-pentadecaen-23-amine?

The IUPAC name of 29-carbazol-9-yl-N,N-bis(4-phenylphenyl)-20,26-di(triphenylen-2-yl)-20,26-diaza-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27(32),28,30-pentadecaen-23-amine (CID 168843356) is 29-carbazol-9-yl-N,N-bis(4-phenylphenyl)-20,26-di(triphenylen-2-yl)-20,26-diaza-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27(32),28,30-pentadecaen-23-amine.

What is the SMILES notation for 29-carbazol-9-yl-N,N-bis(4-phenylphenyl)-20,26-di(triphenylen-2-yl)-20,26-diaza-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27(32),28,30-pentadecaen-23-amine?

The canonical SMILES for 29-carbazol-9-yl-N,N-bis(4-phenylphenyl)-20,26-di(triphenylen-2-yl)-20,26-diaza-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27(32),28,30-pentadecaen-23-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5c(c3)N(c3ccc6c7ccccc7c7ccccc7c6c3)c3cc6c7ccccc7c7ccccc7c6cc3B5c3ccc(-n5c6ccccc6c6ccccc65)cc3N4c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.

What is the InChIKey of 29-carbazol-9-yl-N,N-bis(4-phenylphenyl)-20,26-di(triphenylen-2-yl)-20,26-diaza-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27(32),28,30-pentadecaen-23-amine?

The InChIKey is YAWNRYWBJWMYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H63BN4/c1-3-23-64(24-4-1)66-43-47-68(48-44-66)104(69-49-45-67(46-50-69)65-25-5-2-6-26-65)73-60-100-102-101(61-73)107(71-52-55-87-81-34-10-8-28-75(81)77-30-12-16-36-83(77)91(87)58-71)99-63-93-85-38-18-14-32-79(85)78-31-13-17-37-84(78)92(93)62-95(99)103(102)94-56-53-72(105-96-41-21-19-39-88(96)89-40-20-22-42-97(89)105)59-98(94)106(100)70-51-54-86-80-33-9-7-27-74(80)76-29-11-15-35-82(76)90(86)57-70/h1-63H.

What are the key properties of 29-carbazol-9-yl-N,N-bis(4-phenylphenyl)-20,26-di(triphenylen-2-yl)-20,26-diaza-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27(32),28,30-pentadecaen-23-amine?

29-carbazol-9-yl-N,N-bis(4-phenylphenyl)-20,26-di(triphenylen-2-yl)-20,26-diaza-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27(32),28,30-pentadecaen-23-amine has a molecular weight of 1355.47 g/mol, XLogP of 26.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 29-carbazol-9-yl-N,N-bis(4-phenylphenyl)-20,26-di(triphenylen-2-yl)-20,26-diaza-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27(32),28,30-pentadecaen-23-amine is sourced from PubChem (CID 168843356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).