6-(2,6-diphenylphenyl)-N,N,25-triphenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaen-18-amine

C84H57BN4 — CID 170684143

IUPAC6-(2,6-diphenylphenyl)-N,N,25-triphenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaen-18-amine
SMILESc1ccc(-c2ccc(N3c4cc(N(c5ccccc5)c5ccccc5)cc5c4B(c4cc(-c6ccccc6)ccc4N5c4cccc(-c5ccccc5)c4)c4ccc5c(c43)c3ccccc3n5-c3c(-c4ccccc4)cccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C84H57BN4/c1-8-26-58(27-9-1)61-46-49-68(50-47-61)88-80-57-70(86(66-37-18-6-19-38-66)67-39-20-7-21-40-67)56-79-82(80)85(75-55-65(60-30-12-3-13-31-60)48-52-77(75)87(79)69-41-24-36-64(54-69)59-28-10-2-11-29-59)74-51-53-78-81(84(74)88)73-42-22-23-45-76(73)89(78)83-71(62-32-14-4-15-33-62)43-25-44-72(83)63-34-16-5-17-35-63/h1-57H
InChIKeyAJAIBAWKBAZQAY-UHFFFAOYSA-N
MW1133.22 g/mol
LogP20.67
Rot. Bonds11

About 6-(2,6-diphenylphenyl)-N,N,25-triphenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaen-18-amine

6-(2,6-diphenylphenyl)-N,N,25-triphenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaen-18-amine (PubChem CID 170684143) has the molecular formula C84H57BN4 and a molecular weight of 1133.22 g/mol. Its IUPAC name is 6-(2,6-diphenylphenyl)-N,N,25-triphenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaen-18-amine.

Molecular Properties

Compound Name6-(2,6-diphenylphenyl)-N,N,25-triphenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaen-18-amine
PubChem CID170684143
Molecular FormulaC84H57BN4
Molecular Weight1133.22 g/mol
Exact Mass1132.47
IUPAC Name6-(2,6-diphenylphenyl)-N,N,25-triphenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaen-18-amine
SMILESc1ccc(-c2ccc(N3c4cc(N(c5ccccc5)c5ccccc5)cc5c4B(c4cc(-c6ccccc6)ccc4N5c4cccc(-c5ccccc5)c4)c4ccc5c(c43)c3ccccc3n5-c3c(-c4ccccc4)cccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C84H57BN4/c1-8-26-58(27-9-1)61-46-49-68(50-47-61)88-80-57-70(86(66-37-18-6-19-38-66)67-39-20-7-21-40-67)56-79-82(80)85(75-55-65(60-30-12-3-13-31-60)48-52-77(75)87(79)69-41-24-36-64(54-69)59-28-10-2-11-29-59)74-51-53-78-81(84(74)88)73-42-22-23-45-76(73)89(78)83-71(62-32-14-4-15-33-62)43-25-44-72(83)63-34-16-5-17-35-63/h1-57H
InChIKeyAJAIBAWKBAZQAY-UHFFFAOYSA-N
XLogP20.67
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.22
LogP ≤ 520.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(2,6-diphenylphenyl)-N,N,25-triphenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaen-18-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,24-triphenyl-6-(3-phenylphenyl)-15,21-bis(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaen-18-amine
CID 170683958
18-carbazol-9-yl-6-(2,6-diphenylphenyl)-24-phenyl-15-(3-phenylphenyl)-21-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene
CID 170684045
18-carbazol-9-yl-6-(2,6-diphenylphenyl)-24-phenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaene
CID 170684103
24-carbazol-9-yl-6-(2,6-diphenylphenyl)-15-(3-phenylphenyl)-21-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene
CID 170683991
15,21-bis(2,6-diphenylphenyl)-N,N,18-triphenyl-6-(3-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaen-24-amine
CID 170684068
6,15,21-tris(2,6-diphenylphenyl)-18,24-diphenyl-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene
CID 170683989
24-carbazol-9-yl-6,21-bis(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaene
CID 170684077
23-carbazol-9-yl-N,N,5,16-tetraphenyl-26-(3-phenylphenyl)-1,26-diaza-19-boraoctacyclo[16.13.1.119,27.02,7.08,13.014,32.020,25.031,33]tritriaconta-2(7),3,5,8,10,12,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaen-29-amine
CID 168748085
18-tert-butyl-15,21-bis(2,6-diphenylphenyl)-N,N,6-triphenyl-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaen-24-amine
CID 170684151
18-(3,5-diphenylphenyl)-8,14-bis[2-(3,5-diphenylphenyl)phenyl]-11-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-amine
CID 177078375
15-(3,6-ditert-butylcarbazol-9-yl)-22-(2,6-diphenylphenyl)-N,N,9,28,31-pentakis-phenyl-12-(3-phenylphenyl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaen-25-amine
CID 164732764
18,24-di(carbazol-9-yl)-6-(3-phenylphenyl)-15-(4-phenylphenyl)-21-(9,9'-spirobi[fluorene]-2-yl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaene
CID 176617435

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diphenylphenyl)-N,N,25-triphenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaen-18-amine?
The IUPAC name of 6-(2,6-diphenylphenyl)-N,N,25-triphenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaen-18-amine (CID 170684143) is 6-(2,6-diphenylphenyl)-N,N,25-triphenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaen-18-amine.
What is the SMILES notation for 6-(2,6-diphenylphenyl)-N,N,25-triphenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaen-18-amine?
The canonical SMILES for 6-(2,6-diphenylphenyl)-N,N,25-triphenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaen-18-amine is c1ccc(-c2ccc(N3c4cc(N(c5ccccc5)c5ccccc5)cc5c4B(c4cc(-c6ccccc6)ccc4N5c4cccc(-c5ccccc5)c4)c4ccc5c(c43)c3ccccc3n5-c3c(-c4ccccc4)cccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 6-(2,6-diphenylphenyl)-N,N,25-triphenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaen-18-amine?
The InChIKey is AJAIBAWKBAZQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H57BN4/c1-8-26-58(27-9-1)61-46-49-68(50-47-61)88-80-57-70(86(66-37-18-6-19-38-66)67-39-20-7-21-40-67)56-79-82(80)85(75-55-65(60-30-12-3-13-31-60)48-52-77(75)87(79)69-41-24-36-64(54-69)59-28-10-2-11-29-59)74-51-53-78-81(84(74)88)73-42-22-23-45-76(73)89(78)83-71(62-32-14-4-15-33-62)43-25-44-72(83)63-34-16-5-17-35-63/h1-57H.
What are the key properties of 6-(2,6-diphenylphenyl)-N,N,25-triphenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaen-18-amine?
6-(2,6-diphenylphenyl)-N,N,25-triphenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaen-18-amine has a molecular weight of 1133.22 g/mol, XLogP of 20.67, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diphenylphenyl)-N,N,25-triphenyl-21-(3-phenylphenyl)-15-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16(28),17,19,22(27),23,25-dodecaen-18-amine is sourced from PubChem (CID 170684143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).