N,N,4-triphenyl-8,24-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-20-amine

C64H44BN3 — CID 174125999

IUPACN,N,4-triphenyl-8,24-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-20-amine
SMILESc1ccc(-c2ccc(N3B4c5cc(-c6ccccc6)ccc5N(c5ccc(-c6ccccc6)cc5)c5c4c(cc4ccccc54)-c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C64H44BN3/c1-6-18-45(19-7-1)48-30-35-54(36-31-48)67-62-40-34-50(47-22-10-3-11-23-47)43-60(62)65-63-59(42-51-24-16-17-29-57(51)64(63)67)58-44-56(66(52-25-12-4-13-26-52)53-27-14-5-15-28-53)39-41-61(58)68(65)55-37-32-49(33-38-55)46-20-8-2-9-21-46/h1-44H
InChIKeySQDFIFVRBVRFIN-UHFFFAOYSA-N
MW865.89 g/mol
LogP16.02
Rot. Bonds8

About N,N,4-triphenyl-8,24-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-20-amine

N,N,4-triphenyl-8,24-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-20-amine (PubChem CID 174125999) has the molecular formula C64H44BN3 and a molecular weight of 865.89 g/mol. Its IUPAC name is N,N,4-triphenyl-8,24-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-20-amine.

Molecular Properties

Compound NameN,N,4-triphenyl-8,24-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-20-amine
PubChem CID174125999
Molecular FormulaC64H44BN3
Molecular Weight865.89 g/mol
Exact Mass865.36
IUPAC NameN,N,4-triphenyl-8,24-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-20-amine
SMILESc1ccc(-c2ccc(N3B4c5cc(-c6ccccc6)ccc5N(c5ccc(-c6ccccc6)cc5)c5c4c(cc4ccccc54)-c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C64H44BN3/c1-6-18-45(19-7-1)48-30-35-54(36-31-48)67-62-40-34-50(47-22-10-3-11-23-47)43-60(62)65-63-59(42-51-24-16-17-29-57(51)64(63)67)58-44-56(66(52-25-12-4-13-26-52)53-27-14-5-15-28-53)39-41-61(58)68(65)55-37-32-49(33-38-55)46-20-8-2-9-21-46/h1-44H
InChIKeySQDFIFVRBVRFIN-UHFFFAOYSA-N
XLogP16.02
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.89
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N,4-triphenyl-8,24-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-20-amine with MolForge

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Related Compounds

N,N,20-triphenyl-8,24-bis(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-5-amine
CID 174125997
8-(2-methyl-4-phenylphenyl)-N,N,20-triphenyl-24-(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-4-amine
CID 174126016
N,N,5-triphenyl-8,24-bis(3-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-21-amine
CID 174126009
5-phenyl-8,24-bis(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-21-amine
CID 174126013
4,12-diphenyl-8,16-bis(4-phenylphenyl)-25-oxa-8,16-diaza-9-boraheptacyclo[15.10.1.02,7.09,28.010,15.018,26.019,24]octacosa-1(27),2(7),3,5,10(15),11,13,17(28),18(26),19,21,23-dodecaene
CID 174127943
N,N,12-triphenyl-8,16-bis(4-phenylphenyl)-20-thia-8,16-diaza-9-boraheptacyclo[15.10.1.02,7.09,28.010,15.019,27.021,26]octacosa-1(28),2(7),3,5,10(15),11,13,17,19(27),21,23,25-dodecaen-4-amine
CID 174127884
16-(4-tert-butyl-2-methylphenyl)-N,N,12-triphenyl-8-(4-phenylphenyl)-25-oxa-8,16-diaza-9-boraheptacyclo[15.10.1.02,7.09,28.010,15.018,26.019,24]octacosa-1(27),2(7),3,5,10(15),11,13,17(28),18(26),19,21,23-dodecaen-5-amine
CID 174127934
16-(2-methyl-4-phenylphenyl)-N,N,4-triphenyl-8-(3-phenylphenyl)-25-oxa-8,16-diaza-9-boraheptacyclo[15.10.1.02,7.09,28.010,15.018,26.019,24]octacosa-1(27),2(7),3,5,10(15),11,13,17(28),18(26),19,21,23-dodecaen-12-amine
CID 174127940
16-(2-methyl-4-phenylphenyl)-N,N,5-triphenyl-8-(4-phenylphenyl)-19-oxa-8,16-diaza-9-boraheptacyclo[15.10.1.02,7.09,28.010,15.018,26.020,25]octacosa-1(28),2(7),3,5,10(15),11,13,17,20,22,24,26-dodecaen-13-amine
CID 174127904
16-(2-methyl-4-phenylphenyl)-N,N-diphenyl-8-(3-phenylphenyl)-19-oxa-8,16-diaza-9-boraheptacyclo[15.10.1.02,7.09,28.010,15.018,26.020,25]octacosa-1(28),2,4,6,10(15),11,13,17,20,22,24,26-dodecaen-12-amine
CID 174016729
25,25-dimethyl-16-(2-methyl-4-phenylphenyl)-N,N-diphenyl-8-(3-phenylphenyl)-8,16-diaza-9-boraheptacyclo[15.10.1.02,7.09,28.010,15.018,26.019,24]octacosa-1(27),2,4,6,10(15),11,13,17(28),18(26),19,21,23-dodecaen-12-amine
CID 174127953
11-tert-butyl-8-(2-methyl-4-phenylphenyl)-N,N-diphenyl-20-(3-phenylphenyl)-8,20-diaza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-4-amine
CID 174123155

Frequently Asked Questions

What is the IUPAC name of N,N,4-triphenyl-8,24-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-20-amine?
The IUPAC name of N,N,4-triphenyl-8,24-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-20-amine (CID 174125999) is N,N,4-triphenyl-8,24-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-20-amine.
What is the SMILES notation for N,N,4-triphenyl-8,24-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-20-amine?
The canonical SMILES for N,N,4-triphenyl-8,24-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-20-amine is c1ccc(-c2ccc(N3B4c5cc(-c6ccccc6)ccc5N(c5ccc(-c6ccccc6)cc5)c5c4c(cc4ccccc54)-c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1.
What is the InChIKey of N,N,4-triphenyl-8,24-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-20-amine?
The InChIKey is SQDFIFVRBVRFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44BN3/c1-6-18-45(19-7-1)48-30-35-54(36-31-48)67-62-40-34-50(47-22-10-3-11-23-47)43-60(62)65-63-59(42-51-24-16-17-29-57(51)64(63)67)58-44-56(66(52-25-12-4-13-26-52)53-27-14-5-15-28-53)39-41-61(58)68(65)55-37-32-49(33-38-55)46-20-8-2-9-21-46/h1-44H.
What are the key properties of N,N,4-triphenyl-8,24-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-20-amine?
N,N,4-triphenyl-8,24-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-20-amine has a molecular weight of 865.89 g/mol, XLogP of 16.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-triphenyl-8,24-bis(4-phenylphenyl)-8,24-diaza-1-borahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-2(7),3,5,9(25),10,12,14,16,18(23),19,21-undecaen-20-amine is sourced from PubChem (CID 174125999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).