7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]carbazole

C66H39N3O2 — CID 134223332

IUPAC7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7c(cc6c5c4)c4cc(-c5ccc6c(c5)c5cc8c(cc5n6-c5ccccc5)oc5ccccc58)ccc4n7-c4ccccc4)ccc32)cc1
InChIInChI=1S/C66H39N3O2/c1-4-14-44(15-5-1)67-57-22-12-10-20-47(57)49-32-40(24-28-58(49)67)43-27-31-64-54(35-43)56-37-53-51-34-42(26-30-60(51)69(46-18-8-3-9-19-46)62(53)39-66(56)71-64)41-25-29-59-50(33-41)52-36-55-48-21-11-13-23-63(48)70-65(55)38-61(52)68(59)45-16-6-2-7-17-45/h1-39H
InChIKeyUPFVPLVLCJJGHE-UHFFFAOYSA-N
MW906.06 g/mol
LogP18.11
Rot. Bonds5

About 7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]carbazole

7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223332) has the molecular formula C66H39N3O2 and a molecular weight of 906.06 g/mol. Its IUPAC name is 7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID134223332
Molecular FormulaC66H39N3O2
Molecular Weight906.06 g/mol
Exact Mass905.30
IUPAC Name7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7c(cc6c5c4)c4cc(-c5ccc6c(c5)c5cc8c(cc5n6-c5ccccc5)oc5ccccc58)ccc4n7-c4ccccc4)ccc32)cc1
InChIInChI=1S/C66H39N3O2/c1-4-14-44(15-5-1)67-57-22-12-10-20-47(57)49-32-40(24-28-58(49)67)43-27-31-64-54(35-43)56-37-53-51-34-42(26-30-60(51)69(46-18-8-3-9-19-46)62(53)39-66(56)71-64)41-25-29-59-50(33-41)52-36-55-48-21-11-13-23-63(48)70-65(55)38-61(52)68(59)45-16-6-2-7-17-45/h1-39H
InChIKeyUPFVPLVLCJJGHE-UHFFFAOYSA-N
XLogP18.11
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.06
LogP ≤ 518.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]carbazole (CID 134223332) is 7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cc7c(cc6c5c4)c4cc(-c5ccc6c(c5)c5cc8c(cc5n6-c5ccccc5)oc5ccccc58)ccc4n7-c4ccccc4)ccc32)cc1.
What is the InChIKey of 7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is UPFVPLVLCJJGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39N3O2/c1-4-14-44(15-5-1)67-57-22-12-10-20-47(57)49-32-40(24-28-58(49)67)43-27-31-64-54(35-43)56-37-53-51-34-42(26-30-60(51)69(46-18-8-3-9-19-46)62(53)39-66(56)71-64)41-25-29-59-50(33-41)52-36-55-48-21-11-13-23-63(48)70-65(55)38-61(52)68(59)45-16-6-2-7-17-45/h1-39H.
What are the key properties of 7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]carbazole?
7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 906.06 g/mol, XLogP of 18.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).