9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole

C39H27NO — CID 118099209

IUPAC9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc21
InChIInChI=1S/C39H27NO/c1-39(2)32-15-6-3-12-31(32)36-33(39)23-22-30-29-14-9-13-26(37(29)41-38(30)36)24-18-20-25(21-19-24)40-34-16-7-4-10-27(34)28-11-5-8-17-35(28)40/h3-23H,1-2H3
InChIKeyCPINHDLYGGHESC-UHFFFAOYSA-N
MW525.65 g/mol
LogP10.66
Rot. Bonds2

About 9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole

9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole (PubChem CID 118099209) has the molecular formula C39H27NO and a molecular weight of 525.65 g/mol. Its IUPAC name is 9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
PubChem CID118099209
Molecular FormulaC39H27NO
Molecular Weight525.65 g/mol
Exact Mass525.21
IUPAC Name9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc21
InChIInChI=1S/C39H27NO/c1-39(2)32-15-6-3-12-31(32)36-33(39)23-22-30-29-14-9-13-26(37(29)41-38(30)36)24-18-20-25(21-19-24)40-34-16-7-4-10-27(34)28-11-5-8-17-35(28)40/h3-23H,1-2H3
InChIKeyCPINHDLYGGHESC-UHFFFAOYSA-N
XLogP10.66
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole
CID 118099217
3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099247
20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122137
3-dibenzothiophen-2-yl-9-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099245
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
3-carbazol-9-yl-2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)benzonitrile
CID 126582543
N-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 118410898
3-dibenzofuran-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]carbazole
CID 158048985
N,N-bis(4-dibenzofuran-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-amine;7,7-dimethyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-amine;7,7-dimethyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]fluoreno[4,3-b][1]benzothiol-1-amine
CID 161348312
9-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166960980
11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 90225215

Frequently Asked Questions

What is the IUPAC name of 9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole (CID 118099209) is 9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole is CC1(C)c2ccccc2-c2c1ccc1c2oc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc21.
What is the InChIKey of 9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole?
The InChIKey is CPINHDLYGGHESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NO/c1-39(2)32-15-6-3-12-31(32)36-33(39)23-22-30-29-14-9-13-26(37(29)41-38(30)36)24-18-20-25(21-19-24)40-34-16-7-4-10-27(34)28-11-5-8-17-35(28)40/h3-23H,1-2H3.
What are the key properties of 9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole?
9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole has a molecular weight of 525.65 g/mol, XLogP of 10.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole is sourced from PubChem (CID 118099209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).