5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)-N,N-diphenylquinolin-8-amine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenoxazine;8-[8-(9,9-dimethylacridin-10-yl)quinolin-5-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

C147H96B4N12OS — CID 159811844

IUPAC5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)-N,N-diphenylquinolin-8-amine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenoxazine;8-[8-(9,9-dimethylacridin-10-yl)quinolin-5-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESCC1(C)c2ccccc2N(c2ccc(B3c4ccccc4-c4ccnc5cccc3c45)c3cccnc23)c2ccccc21.c1ccc(N(c2ccccc2)c2ccc(B3c4ccccc4-c4ccnc5cccc3c45)c3cccnc23)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(B2c3ccccc3-c3ccnc4cccc2c34)c2cccnc12.c1ccc2c(c1)Sc1ccccc1N2c1ccc(B2c3ccccc3-c3ccnc4cccc2c34)c2cccnc12
InChIInChI=1S/C39H28BN3.C36H22BN3O.C36H22BN3S.C36H24BN3/c1-39(2)28-13-4-7-18-34(28)43(35-19-8-5-14-29(35)39)36-21-20-31(27-12-10-23-42-38(27)36)40-30-15-6-3-11-25(30)26-22-24-41-33-17-9-16-32(40)37(26)33;2*1-2-11-26-23(9-1)24-20-22-38-29-13-7-12-28(35(24)29)37(26)27-18-19-32(36-25(27)10-8-21-39-36)40-30-14-3-5-16-33(30)41-34-17-6-4-15-31(34)40;1-3-11-25(12-4-1)40(26-13-5-2-6-14-26)34-21-20-31(29-16-10-23-39-36(29)34)37-30-17-8-7-15-27(30)28-22-24-38-33-19-9-18-32(37)35(28)33/h3-24H,1-2H3;2*1-22H;1-24H
InChIKeyNLCYQEMTKRHUOF-UHFFFAOYSA-N
MW2121.78 g/mol
LogP28.21
Rot. Bonds10

About 5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)-N,N-diphenylquinolin-8-amine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenoxazine;8-[8-(9,9-dimethylacridin-10-yl)quinolin-5-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)-N,N-diphenylquinolin-8-amine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenoxazine;8-[8-(9,9-dimethylacridin-10-yl)quinolin-5-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (PubChem CID 159811844) has the molecular formula C147H96B4N12OS and a molecular weight of 2121.78 g/mol. Its IUPAC name is 5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)-N,N-diphenylquinolin-8-amine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenoxazine;8-[8-(9,9-dimethylacridin-10-yl)quinolin-5-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

Molecular Properties

Compound Name5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)-N,N-diphenylquinolin-8-amine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenoxazine;8-[8-(9,9-dimethylacridin-10-yl)quinolin-5-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
PubChem CID159811844
Molecular FormulaC147H96B4N12OS
Molecular Weight2121.78 g/mol
Exact Mass2120.79
IUPAC Name5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)-N,N-diphenylquinolin-8-amine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenoxazine;8-[8-(9,9-dimethylacridin-10-yl)quinolin-5-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESCC1(C)c2ccccc2N(c2ccc(B3c4ccccc4-c4ccnc5cccc3c45)c3cccnc23)c2ccccc21.c1ccc(N(c2ccccc2)c2ccc(B3c4ccccc4-c4ccnc5cccc3c45)c3cccnc23)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(B2c3ccccc3-c3ccnc4cccc2c34)c2cccnc12.c1ccc2c(c1)Sc1ccccc1N2c1ccc(B2c3ccccc3-c3ccnc4cccc2c34)c2cccnc12
InChIInChI=1S/C39H28BN3.C36H22BN3O.C36H22BN3S.C36H24BN3/c1-39(2)28-13-4-7-18-34(28)43(35-19-8-5-14-29(35)39)36-21-20-31(27-12-10-23-42-38(27)36)40-30-15-6-3-11-25(30)26-22-24-41-33-17-9-16-32(40)37(26)33;2*1-2-11-26-23(9-1)24-20-22-38-29-13-7-12-28(35(24)29)37(26)27-18-19-32(36-25(27)10-8-21-39-36)40-30-14-3-5-16-33(30)41-34-17-6-4-15-31(34)40;1-3-11-25(12-4-1)40(26-13-5-2-6-14-26)34-21-20-31(29-16-10-23-39-36(29)34)37-30-17-8-7-15-27(30)28-22-24-38-33-19-9-18-32(37)35(28)33/h3-24H,1-2H3;2*1-22H;1-24H
InChIKeyNLCYQEMTKRHUOF-UHFFFAOYSA-N
XLogP28.21
TPSA125.31 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002121.78
LogP ≤ 528.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)-N,N-diphenylquinolin-8-amine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenoxazine;8-[8-(9,9-dimethylacridin-10-yl)quinolin-5-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)-N,N-diphenylquinolin-8-amine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenoxazine;8-[8-(9,9-dimethylacridin-10-yl)quinolin-5-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The IUPAC name of 5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)-N,N-diphenylquinolin-8-amine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenoxazine;8-[8-(9,9-dimethylacridin-10-yl)quinolin-5-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (CID 159811844) is 5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)-N,N-diphenylquinolin-8-amine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenoxazine;8-[8-(9,9-dimethylacridin-10-yl)quinolin-5-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.
What is the SMILES notation for 5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)-N,N-diphenylquinolin-8-amine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenoxazine;8-[8-(9,9-dimethylacridin-10-yl)quinolin-5-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The canonical SMILES for 5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)-N,N-diphenylquinolin-8-amine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenoxazine;8-[8-(9,9-dimethylacridin-10-yl)quinolin-5-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is CC1(C)c2ccccc2N(c2ccc(B3c4ccccc4-c4ccnc5cccc3c45)c3cccnc23)c2ccccc21.c1ccc(N(c2ccccc2)c2ccc(B3c4ccccc4-c4ccnc5cccc3c45)c3cccnc23)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(B2c3ccccc3-c3ccnc4cccc2c34)c2cccnc12.c1ccc2c(c1)Sc1ccccc1N2c1ccc(B2c3ccccc3-c3ccnc4cccc2c34)c2cccnc12.
What is the InChIKey of 5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)-N,N-diphenylquinolin-8-amine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenoxazine;8-[8-(9,9-dimethylacridin-10-yl)quinolin-5-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The InChIKey is NLCYQEMTKRHUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28BN3.C36H22BN3O.C36H22BN3S.C36H24BN3/c1-39(2)28-13-4-7-18-34(28)43(35-19-8-5-14-29(35)39)36-21-20-31(27-12-10-23-42-38(27)36)40-30-15-6-3-11-25(30)26-22-24-41-33-17-9-16-32(40)37(26)33;2*1-2-11-26-23(9-1)24-20-22-38-29-13-7-12-28(35(24)29)37(26)27-18-19-32(36-25(27)10-8-21-39-36)40-30-14-3-5-16-33(30)41-34-17-6-4-15-31(34)40;1-3-11-25(12-4-1)40(26-13-5-2-6-14-26)34-21-20-31(29-16-10-23-39-36(29)34)37-30-17-8-7-15-27(30)28-22-24-38-33-19-9-18-32(37)35(28)33/h3-24H,1-2H3;2*1-22H;1-24H.
What are the key properties of 5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)-N,N-diphenylquinolin-8-amine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenoxazine;8-[8-(9,9-dimethylacridin-10-yl)quinolin-5-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)-N,N-diphenylquinolin-8-amine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenoxazine;8-[8-(9,9-dimethylacridin-10-yl)quinolin-5-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene has a molecular weight of 2121.78 g/mol, XLogP of 28.21, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)-N,N-diphenylquinolin-8-amine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)quinolin-8-yl]phenoxazine;8-[8-(9,9-dimethylacridin-10-yl)quinolin-5-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is sourced from PubChem (CID 159811844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).