3-[8,14-diphenyl-5-(N-phenylanilino)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile;11-(10-naphthalen-2-ylanthracen-9-yl)-N,N,8,14-tetraphenyl-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;N,N,8,14-tetraphenyl-11-[3-(10-phenylanthracen-9-yl)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-amine

C203H135B3N10 — CID 157475803

About 3-[8,14-diphenyl-5-(N-phenylanilino)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile;11-(10-naphthalen-2-ylanthracen-9-yl)-N,N,8,14-tetraphenyl-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;N,N,8,14-tetraphenyl-11-[3-(10-phenylanthracen-9-yl)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-amine

3-[8,14-diphenyl-5-(N-phenylanilino)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile;11-(10-naphthalen-2-ylanthracen-9-yl)-N,N,8,14-tetraphenyl-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;N,N,8,14-tetraphenyl-11-[3-(10-phenylanthracen-9-yl)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-amine (PubChem CID 157475803) has the molecular formula C203H135B3N10 and a molecular weight of 2746.82 g/mol. Its IUPAC name is 3-[8,14-diphenyl-5-(N-phenylanilino)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile;11-(10-naphthalen-2-ylanthracen-9-yl)-N,N,8,14-tetraphenyl-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;N,N,8,14-tetraphenyl-11-[3-(10-phenylanthracen-9-yl)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-amine.

Molecular Properties

• Compound Name: 3-[8,14-diphenyl-5-(N-phenylanilino)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile;11-(10-naphthalen-2-ylanthracen-9-yl)-N,N,8,14-tetraphenyl-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;N,N,8,14-tetraphenyl-11-[3-(10-phenylanthracen-9-yl)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-amine
• PubChem CID: 157475803
• Molecular Formula: C203H135B3N10
• Molecular Weight: 2746.82 g/mol
• Exact Mass: 2745.12
• IUPAC Name: 3-[8,14-diphenyl-5-(N-phenylanilino)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile;11-(10-naphthalen-2-ylanthracen-9-yl)-N,N,8,14-tetraphenyl-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;N,N,8,14-tetraphenyl-11-[3-(10-phenylanthracen-9-yl)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-amine
• SMILES: N#Cc1cc(-c2cc3c4c(c2)N(c2ccccc2)c2cc(N(c5ccccc5)c5ccccc5)ccc2B4c2ccccc2N3c2ccccc2)cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4cc5c6c(c4)N(c4ccccc4)c4cc(N(c7ccccc7)c7ccccc7)ccc4B6c4ccccc4N5c4ccccc4)c3)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)N(c2ccccc2)c2cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc4c2B3c2ccccc2N4c2ccccc2)cc1
• InChI: InChI=1S/C69H45BN4.C68H46BN3.C66H44BN3/c71-46-47-40-49(42-51(41-47)68-59-34-18-16-32-57(59)67(48-22-6-1-7-23-48)58-33-17-19-35-60(58)68)50-43-65-69-66(44-50)74(55-30-14-5-15-31-55)64-45-56(72(52-24-8-2-9-25-52)53-26-10-3-11-27-53)38-39-62(64)70(69)61-36-20-21-37-63(61)73(65)54-28-12-4-13-29-54;1-6-23-47(24-7-1)66-56-35-16-18-37-58(56)67(59-38-19-17-36-57(59)66)49-26-22-25-48(43-49)50-44-64-68-65(45-50)72(54-33-14-5-15-34-54)63-46-55(70(51-27-8-2-9-28-51)52-29-10-3-11-30-52)41-42-61(63)69(68)60-39-20-21-40-62(60)71(64)53-31-12-4-13-32-53;1-5-23-49(24-6-1)68(50-25-7-2-8-26-50)53-39-40-59-61(44-53)70(52-29-11-4-12-30-52)63-43-48(42-62-66(63)67(59)58-35-19-20-36-60(58)69(62)51-27-9-3-10-28-51)65-56-33-17-15-31-54(56)64(55-32-16-18-34-57(55)65)47-38-37-45-21-13-14-22-46(45)41-47/h1-45H;1-46H;1-44H
• InChIKey: BVOQSNYWOJUYFE-UHFFFAOYSA-N
• XLogP: 49.00
• TPSA: 52.95 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2746.82
LogP ≤ 5	49.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[8,14-diphenyl-5-(N-phenylanilino)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile;11-(10-naphthalen-2-ylanthracen-9-yl)-N,N,8,14-tetraphenyl-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;N,N,8,14-tetraphenyl-11-[3-(10-phenylanthracen-9-yl)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-amine?

The IUPAC name of 3-[8,14-diphenyl-5-(N-phenylanilino)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile;11-(10-naphthalen-2-ylanthracen-9-yl)-N,N,8,14-tetraphenyl-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;N,N,8,14-tetraphenyl-11-[3-(10-phenylanthracen-9-yl)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-amine (CID 157475803) is 3-[8,14-diphenyl-5-(N-phenylanilino)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile;11-(10-naphthalen-2-ylanthracen-9-yl)-N,N,8,14-tetraphenyl-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;N,N,8,14-tetraphenyl-11-[3-(10-phenylanthracen-9-yl)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-amine.

What is the SMILES notation for 3-[8,14-diphenyl-5-(N-phenylanilino)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile;11-(10-naphthalen-2-ylanthracen-9-yl)-N,N,8,14-tetraphenyl-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;N,N,8,14-tetraphenyl-11-[3-(10-phenylanthracen-9-yl)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-amine?

The canonical SMILES for 3-[8,14-diphenyl-5-(N-phenylanilino)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile;11-(10-naphthalen-2-ylanthracen-9-yl)-N,N,8,14-tetraphenyl-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;N,N,8,14-tetraphenyl-11-[3-(10-phenylanthracen-9-yl)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-amine is N#Cc1cc(-c2cc3c4c(c2)N(c2ccccc2)c2cc(N(c5ccccc5)c5ccccc5)ccc2B4c2ccccc2N3c2ccccc2)cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4cc5c6c(c4)N(c4ccccc4)c4cc(N(c7ccccc7)c7ccccc7)ccc4B6c4ccccc4N5c4ccccc4)c3)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)N(c2ccccc2)c2cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc4c2B3c2ccccc2N4c2ccccc2)cc1.

What is the InChIKey of 3-[8,14-diphenyl-5-(N-phenylanilino)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile;11-(10-naphthalen-2-ylanthracen-9-yl)-N,N,8,14-tetraphenyl-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;N,N,8,14-tetraphenyl-11-[3-(10-phenylanthracen-9-yl)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-amine?

The InChIKey is BVOQSNYWOJUYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45BN4.C68H46BN3.C66H44BN3/c71-46-47-40-49(42-51(41-47)68-59-34-18-16-32-57(59)67(48-22-6-1-7-23-48)58-33-17-19-35-60(58)68)50-43-65-69-66(44-50)74(55-30-14-5-15-31-55)64-45-56(72(52-24-8-2-9-25-52)53-26-10-3-11-27-53)38-39-62(64)70(69)61-36-20-21-37-63(61)73(65)54-28-12-4-13-29-54;1-6-23-47(24-7-1)66-56-35-16-18-37-58(56)67(59-38-19-17-36-57(59)66)49-26-22-25-48(43-49)50-44-64-68-65(45-50)72(54-33-14-5-15-34-54)63-46-55(70(51-27-8-2-9-28-51)52-29-10-3-11-30-52)41-42-61(63)69(68)60-39-20-21-40-62(60)71(64)53-31-12-4-13-32-53;1-5-23-49(24-6-1)68(50-25-7-2-8-26-50)53-39-40-59-61(44-53)70(52-29-11-4-12-30-52)63-43-48(42-62-66(63)67(59)58-35-19-20-36-60(58)69(62)51-27-9-3-10-28-51)65-56-33-17-15-31-54(56)64(55-32-16-18-34-57(55)65)47-38-37-45-21-13-14-22-46(45)41-47/h1-45H;1-46H;1-44H.

What are the key properties of 3-[8,14-diphenyl-5-(N-phenylanilino)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile;11-(10-naphthalen-2-ylanthracen-9-yl)-N,N,8,14-tetraphenyl-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;N,N,8,14-tetraphenyl-11-[3-(10-phenylanthracen-9-yl)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-amine?

3-[8,14-diphenyl-5-(N-phenylanilino)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile;11-(10-naphthalen-2-ylanthracen-9-yl)-N,N,8,14-tetraphenyl-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;N,N,8,14-tetraphenyl-11-[3-(10-phenylanthracen-9-yl)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-amine has a molecular weight of 2746.82 g/mol, XLogP of 49.00, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8,14-diphenyl-5-(N-phenylanilino)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile;11-(10-naphthalen-2-ylanthracen-9-yl)-N,N,8,14-tetraphenyl-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;N,N,8,14-tetraphenyl-11-[3-(10-phenylanthracen-9-yl)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-amine is sourced from PubChem (CID 157475803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).