10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[2,3-b]carbazole

C70H44N2O — CID 134223322

IUPAC10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc6c(c5)C5(c8ccccc8-c8ccccc85)c5ccccc5-6)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C70H44N2O/c1-69(2)57-23-11-6-21-48(57)51-37-54-52-34-41(28-32-63(52)71(65(54)39-61(51)69)43-16-4-3-5-17-43)42-29-33-64-53(35-42)55-38-56-50-22-10-15-27-67(50)73-68(56)40-66(55)72(64)44-30-31-49-47-20-9-14-26-60(47)70(62(49)36-44)58-24-12-7-18-45(58)46-19-8-13-25-59(46)70/h3-40H,1-2H3
InChIKeyLOXNOSXIJBCJLA-UHFFFAOYSA-N
MW929.14 g/mol
LogP18.10
Rot. Bonds3

About 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[2,3-b]carbazole

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223322) has the molecular formula C70H44N2O and a molecular weight of 929.14 g/mol. Its IUPAC name is 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID134223322
Molecular FormulaC70H44N2O
Molecular Weight929.14 g/mol
Exact Mass928.35
IUPAC Name10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc6c(c5)C5(c8ccccc8-c8ccccc85)c5ccccc5-6)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C70H44N2O/c1-69(2)57-23-11-6-21-48(57)51-37-54-52-34-41(28-32-63(52)71(65(54)39-61(51)69)43-16-4-3-5-17-43)42-29-33-64-53(35-42)55-38-56-50-22-10-15-27-67(50)73-68(56)40-66(55)72(64)44-30-31-49-47-20-9-14-26-60(47)70(62(49)36-44)58-24-12-7-18-45(58)46-19-8-13-25-59(46)70/h3-40H,1-2H3
InChIKeyLOXNOSXIJBCJLA-UHFFFAOYSA-N
XLogP18.10
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.14
LogP ≤ 518.10
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-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[2,3-b]carbazole (CID 134223322) is 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9'-spirobi[fluorene]-2-yl)-[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-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[2,3-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc6c(c5)C5(c8ccccc8-c8ccccc85)c5ccccc5-6)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is LOXNOSXIJBCJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N2O/c1-69(2)57-23-11-6-21-48(57)51-37-54-52-34-41(28-32-63(52)71(65(54)39-61(51)69)43-16-4-3-5-17-43)42-29-33-64-53(35-42)55-38-56-50-22-10-15-27-67(50)73-68(56)40-66(55)72(64)44-30-31-49-47-20-9-14-26-60(47)70(62(49)36-44)58-24-12-7-18-45(58)46-19-8-13-25-59(46)70/h3-40H,1-2H3.
What are the key properties of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[2,3-b]carbazole?
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 929.14 g/mol, XLogP of 18.10, 3 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-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).