8-[4-[4-(N-[3-[4-(N-[8-(4-methylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

C103H73B2N7 — CID 161203741

About 8-[4-[4-(N-[3-[4-(N-[8-(4-methylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

8-[4-[4-(N-[3-[4-(N-[8-(4-methylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 161203741) has the molecular formula C103H73B2N7 and a molecular weight of 1430.39 g/mol. Its IUPAC name is 8-[4-[4-(N-[3-[4-(N-[8-(4-methylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

• Compound Name: 8-[4-[4-(N-[3-[4-(N-[8-(4-methylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• PubChem CID: 161203741
• Molecular Formula: C103H73B2N7
• Molecular Weight: 1430.39 g/mol
• Exact Mass: 1429.61
• IUPAC Name: 8-[4-[4-(N-[3-[4-(N-[8-(4-methylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• SMILES: Cc1ccc(N2c3cc(N(c4ccccc4)c4ccc(-c5cccc(N(c6ccccc6)c6ccc(-c7ccc(N8c9cc(N(c%10ccccc%10)c%10ccccc%10)ccc9B9c%10ccccc%10N(c%10ccccc%10)c%10cccc8c%109)cc7)cc6)c5)cc4)ccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)cc1
• InChI: InChI=1S/C103H73B2N7/c1-72-49-57-85(58-50-72)111-98-47-25-45-96-102(98)104(90-41-20-22-43-94(90)109(96)81-36-16-6-17-37-81)92-68-66-89(71-100(92)111)108(80-34-14-5-15-35-80)84-61-55-75(56-62-84)76-27-24-40-87(69-76)107(79-32-12-4-13-33-79)83-59-51-73(52-60-83)74-53-63-86(64-54-74)112-99-48-26-46-97-103(99)105(91-42-21-23-44-95(91)110(97)82-38-18-7-19-39-82)93-67-65-88(70-101(93)112)106(77-28-8-2-9-29-77)78-30-10-3-11-31-78/h2-71H,1H3
• InChIKey: UVICJASMXQHBSO-UHFFFAOYSA-N
• XLogP: 23.90
• TPSA: 22.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1430.39
LogP ≤ 5	23.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(N-[3-[4-(N-[8-(4-methylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The IUPAC name of 8-[4-[4-(N-[3-[4-(N-[8-(4-methylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 161203741) is 8-[4-[4-(N-[3-[4-(N-[8-(4-methylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

What is the SMILES notation for 8-[4-[4-(N-[3-[4-(N-[8-(4-methylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The canonical SMILES for 8-[4-[4-(N-[3-[4-(N-[8-(4-methylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is Cc1ccc(N2c3cc(N(c4ccccc4)c4ccc(-c5cccc(N(c6ccccc6)c6ccc(-c7ccc(N8c9cc(N(c%10ccccc%10)c%10ccccc%10)ccc9B9c%10ccccc%10N(c%10ccccc%10)c%10cccc8c%109)cc7)cc6)c5)cc4)ccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)cc1.

What is the InChIKey of 8-[4-[4-(N-[3-[4-(N-[8-(4-methylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The InChIKey is UVICJASMXQHBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H73B2N7/c1-72-49-57-85(58-50-72)111-98-47-25-45-96-102(98)104(90-41-20-22-43-94(90)109(96)81-36-16-6-17-37-81)92-68-66-89(71-100(92)111)108(80-34-14-5-15-35-80)84-61-55-75(56-62-84)76-27-24-40-87(69-76)107(79-32-12-4-13-33-79)83-59-51-73(52-60-83)74-53-63-86(64-54-74)112-99-48-26-46-97-103(99)105(91-42-21-23-44-95(91)110(97)82-38-18-7-19-39-82)93-67-65-88(70-101(93)112)106(77-28-8-2-9-29-77)78-30-10-3-11-31-78/h2-71H,1H3.

What are the key properties of 8-[4-[4-(N-[3-[4-(N-[8-(4-methylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

8-[4-[4-(N-[3-[4-(N-[8-(4-methylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 1430.39 g/mol, XLogP of 23.90, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[4-(N-[3-[4-(N-[8-(4-methylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 161203741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).