10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-fluoranthen-3-ylphenyl)-[1]benzofuro[2,3-b]carbazole

C67H42N2O — CID 134223317

IUPAC10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-fluoranthen-3-ylphenyl)-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5cccc(-c6ccc8c9c(cccc69)-c6ccccc6-8)c5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C67H42N2O/c1-67(2)58-24-10-8-20-47(58)52-35-55-53-33-39(26-30-60(53)68(62(55)37-59(52)67)42-15-4-3-5-16-42)40-27-31-61-54(34-40)56-36-57-48-21-9-11-25-64(48)70-65(57)38-63(56)69(61)43-17-12-14-41(32-43)44-28-29-51-46-19-7-6-18-45(46)50-23-13-22-49(44)66(50)51/h3-38H,1-2H3
InChIKeyVXIQOQZUDKXBOE-UHFFFAOYSA-N
MW891.09 g/mol
LogP18.22
Rot. Bonds4

About 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-fluoranthen-3-ylphenyl)-[1]benzofuro[2,3-b]carbazole

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-fluoranthen-3-ylphenyl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223317) has the molecular formula C67H42N2O and a molecular weight of 891.09 g/mol. Its IUPAC name is 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-fluoranthen-3-ylphenyl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-fluoranthen-3-ylphenyl)-[1]benzofuro[2,3-b]carbazole
PubChem CID134223317
Molecular FormulaC67H42N2O
Molecular Weight891.09 g/mol
Exact Mass890.33
IUPAC Name10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-fluoranthen-3-ylphenyl)-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5cccc(-c6ccc8c9c(cccc69)-c6ccccc6-8)c5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C67H42N2O/c1-67(2)58-24-10-8-20-47(58)52-35-55-53-33-39(26-30-60(53)68(62(55)37-59(52)67)42-15-4-3-5-16-42)40-27-31-61-54(34-40)56-36-57-48-21-9-11-25-64(48)70-65(57)38-63(56)69(61)43-17-12-14-41(32-43)44-28-29-51-46-19-7-6-18-45(46)50-23-13-22-49(44)66(50)51/h3-38H,1-2H3
InChIKeyVXIQOQZUDKXBOE-UHFFFAOYSA-N
XLogP18.22
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.09
LogP ≤ 518.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-fluoranthen-3-ylphenyl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-fluoranthen-3-ylphenyl)-[1]benzofuro[2,3-b]carbazole (CID 134223317) is 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-fluoranthen-3-ylphenyl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-fluoranthen-3-ylphenyl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-fluoranthen-3-ylphenyl)-[1]benzofuro[2,3-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5cccc(-c6ccc8c9c(cccc69)-c6ccccc6-8)c5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-fluoranthen-3-ylphenyl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is VXIQOQZUDKXBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2O/c1-67(2)58-24-10-8-20-47(58)52-35-55-53-33-39(26-30-60(53)68(62(55)37-59(52)67)42-15-4-3-5-16-42)40-27-31-61-54(34-40)56-36-57-48-21-9-11-25-64(48)70-65(57)38-63(56)69(61)43-17-12-14-41(32-43)44-28-29-51-46-19-7-6-18-45(46)50-23-13-22-49(44)66(50)51/h3-38H,1-2H3.
What are the key properties of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-fluoranthen-3-ylphenyl)-[1]benzofuro[2,3-b]carbazole?
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-fluoranthen-3-ylphenyl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 891.09 g/mol, XLogP of 18.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(3-fluoranthen-3-ylphenyl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).