12-carbazol-9-yl-7-(3-phenyl-[1]benzofuro[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole

C46H26N4O2 — CID 152991325

IUPAC12-carbazol-9-yl-7-(3-phenyl-[1]benzofuro[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc3oc4ccccc4c3nc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)c4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C46H26N4O2/c1-2-14-27(15-3-1)42-45(47-43-32-20-8-13-25-38(32)52-46(43)48-42)50-35-23-11-6-18-30(35)40-36(50)26-39-41(31-19-7-12-24-37(31)51-39)44(40)49-33-21-9-4-16-28(33)29-17-5-10-22-34(29)49/h1-26H
InChIKeyUWILARBWSQGRBZ-UHFFFAOYSA-N
MW666.74 g/mol
LogP12.14
Rot. Bonds3

About 12-carbazol-9-yl-7-(3-phenyl-[1]benzofuro[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole

12-carbazol-9-yl-7-(3-phenyl-[1]benzofuro[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 152991325) has the molecular formula C46H26N4O2 and a molecular weight of 666.74 g/mol. Its IUPAC name is 12-carbazol-9-yl-7-(3-phenyl-[1]benzofuro[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name12-carbazol-9-yl-7-(3-phenyl-[1]benzofuro[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID152991325
Molecular FormulaC46H26N4O2
Molecular Weight666.74 g/mol
Exact Mass666.21
IUPAC Name12-carbazol-9-yl-7-(3-phenyl-[1]benzofuro[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc3oc4ccccc4c3nc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)c4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C46H26N4O2/c1-2-14-27(15-3-1)42-45(47-43-32-20-8-13-25-38(32)52-46(43)48-42)50-35-23-11-6-18-30(35)40-36(50)26-39-41(31-19-7-12-24-37(31)51-39)44(40)49-33-21-9-4-16-28(33)29-17-5-10-22-34(29)49/h1-26H
InChIKeyUWILARBWSQGRBZ-UHFFFAOYSA-N
XLogP12.14
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.74
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 153300099
3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine
CID 146391647
9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole
CID 153300123
2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine
CID 134351392
2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-3-yl-[1]benzofuro[2,3-b]pyrazine
CID 162473026
11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375025
2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)-4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 130260390
9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole
CID 146805124
3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine
CID 137433474
7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 130333597
7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 130333880
4-carbazol-9-yl-2-[5-(4-phenylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaen-23-yl]-[1]benzofuro[2,3-d]pyrimidine
CID 138708831

Frequently Asked Questions

What is the IUPAC name of 12-carbazol-9-yl-7-(3-phenyl-[1]benzofuro[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 12-carbazol-9-yl-7-(3-phenyl-[1]benzofuro[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole (CID 152991325) is 12-carbazol-9-yl-7-(3-phenyl-[1]benzofuro[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 12-carbazol-9-yl-7-(3-phenyl-[1]benzofuro[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 12-carbazol-9-yl-7-(3-phenyl-[1]benzofuro[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nc3oc4ccccc4c3nc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)c4c(cc32)oc2ccccc24)cc1.
What is the InChIKey of 12-carbazol-9-yl-7-(3-phenyl-[1]benzofuro[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is UWILARBWSQGRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4O2/c1-2-14-27(15-3-1)42-45(47-43-32-20-8-13-25-38(32)52-46(43)48-42)50-35-23-11-6-18-30(35)40-36(50)26-39-41(31-19-7-12-24-37(31)51-39)44(40)49-33-21-9-4-16-28(33)29-17-5-10-22-34(29)49/h1-26H.
What are the key properties of 12-carbazol-9-yl-7-(3-phenyl-[1]benzofuro[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole?
12-carbazol-9-yl-7-(3-phenyl-[1]benzofuro[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 666.74 g/mol, XLogP of 12.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-carbazol-9-yl-7-(3-phenyl-[1]benzofuro[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 152991325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).