9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole

C49H29NO — CID 153483764

IUPAC9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(cc21)oc1ccc(-c2ccc(-n4c5ccccc5c5ccccc54)cc2)cc13
InChIInChI=1S/C49H29NO/c1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)43-18-8-3-13-35(43)38-28-40-39-27-31(23-26-47(39)51-48(40)29-44(38)49)30-21-24-32(25-22-30)50-45-19-9-4-14-36(45)37-15-5-10-20-46(37)50/h1-29H
InChIKeyQYPSFIKCACGBJP-UHFFFAOYSA-N
MW647.78 g/mol
LogP12.69
Rot. Bonds2

About 9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole

9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole (PubChem CID 153483764) has the molecular formula C49H29NO and a molecular weight of 647.78 g/mol. Its IUPAC name is 9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole.

Molecular Properties

Compound Name9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole
PubChem CID153483764
Molecular FormulaC49H29NO
Molecular Weight647.78 g/mol
Exact Mass647.22
IUPAC Name9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(cc21)oc1ccc(-c2ccc(-n4c5ccccc5c5ccccc54)cc2)cc13
InChIInChI=1S/C49H29NO/c1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)43-18-8-3-13-35(43)38-28-40-39-27-31(23-26-47(39)51-48(40)29-44(38)49)30-21-24-32(25-22-30)50-45-19-9-4-14-36(45)37-15-5-10-20-46(37)50/h1-29H
InChIKeyQYPSFIKCACGBJP-UHFFFAOYSA-N
XLogP12.69
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.78
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
CID 121400315
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 118148524
CID 134551686
CID 134551686
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121329609
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
2-[5-(9,9-dimethylfluoren-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[7,7-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[5-(9,9-diphenylfluoren-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 159407034
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
CID 58536267
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole
CID 140907331
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424697

Frequently Asked Questions

What is the IUPAC name of 9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole?
The IUPAC name of 9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole (CID 153483764) is 9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole.
What is the SMILES notation for 9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole?
The canonical SMILES for 9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(cc21)oc1ccc(-c2ccc(-n4c5ccccc5c5ccccc54)cc2)cc13.
What is the InChIKey of 9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole?
The InChIKey is QYPSFIKCACGBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NO/c1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)43-18-8-3-13-35(43)38-28-40-39-27-31(23-26-47(39)51-48(40)29-44(38)49)30-21-24-32(25-22-30)50-45-19-9-4-14-36(45)37-15-5-10-20-46(37)50/h1-29H.
What are the key properties of 9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole?
9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole has a molecular weight of 647.78 g/mol, XLogP of 12.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole is sourced from PubChem (CID 153483764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).