N,14-diphenyl-N-[3-[3-(3-phenylphenyl)phenyl]phenyl]-8-oxa-14-aza-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

C54H37BN2O — CID 140856035

About N,14-diphenyl-N-[3-[3-(3-phenylphenyl)phenyl]phenyl]-8-oxa-14-aza-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,14-diphenyl-N-[3-[3-(3-phenylphenyl)phenyl]phenyl]-8-oxa-14-aza-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 140856035) has the molecular formula C54H37BN2O and a molecular weight of 740.72 g/mol. Its IUPAC name is N,14-diphenyl-N-[3-[3-(3-phenylphenyl)phenyl]phenyl]-8-oxa-14-aza-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: N,14-diphenyl-N-[3-[3-(3-phenylphenyl)phenyl]phenyl]-8-oxa-14-aza-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: 140856035
• Molecular Formula: C54H37BN2O
• Molecular Weight: 740.72 g/mol
• Exact Mass: 740.30
• IUPAC Name: N,14-diphenyl-N-[3-[3-(3-phenylphenyl)phenyl]phenyl]-8-oxa-14-aza-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: c1ccc(-c2cccc(-c3cccc(-c4cccc(N(c5ccccc5)c5ccc6c(c5)Oc5cccc7c5B6c5ccccc5N7c5ccccc5)c4)c3)c2)cc1
• InChI: InChI=1S/C54H37BN2O/c1-4-16-38(17-5-1)39-18-12-19-40(34-39)41-20-13-21-42(35-41)43-22-14-27-46(36-43)56(44-23-6-2-7-24-44)47-32-33-49-53(37-47)58-52-31-15-30-51-54(52)55(49)48-28-10-11-29-50(48)57(51)45-25-8-3-9-26-45/h1-37H
• InChIKey: ZNOWUHQJOHAUOZ-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.72
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,14-diphenyl-N-[3-[3-(3-phenylphenyl)phenyl]phenyl]-8-oxa-14-aza-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 N,14-diphenyl-N-[3-[3-(3-phenylphenyl)phenyl]phenyl]-8-oxa-14-aza-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 140856035) is N,14-diphenyl-N-[3-[3-(3-phenylphenyl)phenyl]phenyl]-8-oxa-14-aza-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 N,14-diphenyl-N-[3-[3-(3-phenylphenyl)phenyl]phenyl]-8-oxa-14-aza-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 N,14-diphenyl-N-[3-[3-(3-phenylphenyl)phenyl]phenyl]-8-oxa-14-aza-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 c1ccc(-c2cccc(-c3cccc(-c4cccc(N(c5ccccc5)c5ccc6c(c5)Oc5cccc7c5B6c5ccccc5N7c5ccccc5)c4)c3)c2)cc1.

What is the InChIKey of N,14-diphenyl-N-[3-[3-(3-phenylphenyl)phenyl]phenyl]-8-oxa-14-aza-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 ZNOWUHQJOHAUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37BN2O/c1-4-16-38(17-5-1)39-18-12-19-40(34-39)41-20-13-21-42(35-41)43-22-14-27-46(36-43)56(44-23-6-2-7-24-44)47-32-33-49-53(37-47)58-52-31-15-30-51-54(52)55(49)48-28-10-11-29-50(48)57(51)45-25-8-3-9-26-45/h1-37H.

What are the key properties of N,14-diphenyl-N-[3-[3-(3-phenylphenyl)phenyl]phenyl]-8-oxa-14-aza-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,14-diphenyl-N-[3-[3-(3-phenylphenyl)phenyl]phenyl]-8-oxa-14-aza-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 740.72 g/mol, XLogP of 12.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,14-diphenyl-N-[3-[3-(3-phenylphenyl)phenyl]phenyl]-8-oxa-14-aza-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 140856035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).