8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

C46H26BN3O2 — CID 154623167

IUPAC8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESc1ccc2c(c1)B(c1ccc(-n3c4ccccc4c4ccccc43)c3ncccc13)c1cccc3ncc(-c4cc5occc5c5occc45)c-2c13
InChIInChI=1S/C46H26BN3O2/c1-4-13-35-30(11-1)43-34(33-25-42-32(21-23-51-42)46-29(33)20-24-52-46)26-49-38-15-7-14-37(44(38)43)47(35)36-18-19-41(45-31(36)12-8-22-48-45)50-39-16-5-2-9-27(39)28-10-3-6-17-40(28)50/h1-26H
InChIKeyDHXYDLLDSZTWMP-UHFFFAOYSA-N
MW663.55 g/mol
LogP9.54
Rot. Bonds3

About 8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-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 154623167) has the molecular formula C46H26BN3O2 and a molecular weight of 663.55 g/mol. Its IUPAC name is 8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-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 Name8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-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 CID154623167
Molecular FormulaC46H26BN3O2
Molecular Weight663.55 g/mol
Exact Mass663.21
IUPAC Name8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESc1ccc2c(c1)B(c1ccc(-n3c4ccccc4c4ccccc43)c3ncccc13)c1cccc3ncc(-c4cc5occc5c5occc45)c-2c13
InChIInChI=1S/C46H26BN3O2/c1-4-13-35-30(11-1)43-34(33-25-42-32(21-23-51-42)46-29(33)20-24-52-46)26-49-38-15-7-14-37(44(38)43)47(35)36-18-19-41(45-31(36)12-8-22-48-45)50-39-16-5-2-9-27(39)28-10-3-6-17-40(28)50/h1-26H
InChIKeyDHXYDLLDSZTWMP-UHFFFAOYSA-N
XLogP9.54
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.55
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-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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Related Compounds

8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-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 157166177
12-carbazol-9-yl-22,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene
CID 137294942
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
CID 154623125
12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole
CID 122427693
9-(6-carbazol-9-yl-1-pyrido[3,2-d]pyrimidin-2-yldibenzofuran-4-yl)carbazole
CID 168721900
3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole
CID 118530374
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 122692971
12-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;15-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;16-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;17-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene
CID 161327076
6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 122692968
11,12-di(quinolin-8-yl)indolo[2,3-a]carbazole
CID 58184810
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)-3-pyrido[3,2-b]indol-5-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)-3-pyrido[3,4-b]indol-9-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)-3-pyrido[4,3-b]indol-5-ylaniline
CID 159736334
8-[2-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 135131420

Frequently Asked Questions

What is the IUPAC name of 8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-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 8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-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 154623167) is 8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-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 8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-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 8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-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 c1ccc2c(c1)B(c1ccc(-n3c4ccccc4c4ccccc43)c3ncccc13)c1cccc3ncc(-c4cc5occc5c5occc45)c-2c13.
What is the InChIKey of 8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-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 DHXYDLLDSZTWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26BN3O2/c1-4-13-35-30(11-1)43-34(33-25-42-32(21-23-51-42)46-29(33)20-24-52-46)26-49-38-15-7-14-37(44(38)43)47(35)36-18-19-41(45-31(36)12-8-22-48-45)50-39-16-5-2-9-27(39)28-10-3-6-17-40(28)50/h1-26H.
What are the key properties of 8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-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 663.55 g/mol, XLogP of 9.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-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 154623167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).