3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole

C51H35NO — CID 118099217

IUPAC3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2c(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3)cccc21
InChIInChI=1S/C51H35NO/c1-51(2)44-19-10-9-16-41(44)48-45(51)27-26-40-39-18-11-17-38(49(39)53-50(40)48)34-22-20-33(21-23-34)36-25-29-47-43(31-36)42-30-35(32-12-5-3-6-13-32)24-28-46(42)52(47)37-14-7-4-8-15-37/h3-31H,1-2H3
InChIKeyIYXMADBGBCPRAG-UHFFFAOYSA-N
MW677.85 g/mol
LogP13.99
Rot. Bonds4

About 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole

3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole (PubChem CID 118099217) has the molecular formula C51H35NO and a molecular weight of 677.85 g/mol. Its IUPAC name is 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole.

Molecular Properties

Compound Name3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole
PubChem CID118099217
Molecular FormulaC51H35NO
Molecular Weight677.85 g/mol
Exact Mass677.27
IUPAC Name3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2c(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3)cccc21
InChIInChI=1S/C51H35NO/c1-51(2)44-19-10-9-16-41(44)48-45(51)27-26-40-39-18-11-17-38(49(39)53-50(40)48)34-22-20-33(21-23-34)36-25-29-47-43(31-36)42-30-35(32-12-5-3-6-13-32)24-28-46(42)52(47)37-14-7-4-8-15-37/h3-31H,1-2H3
InChIKeyIYXMADBGBCPRAG-UHFFFAOYSA-N
XLogP13.99
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099209
3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099247
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099085
3-dibenzothiophen-2-yl-9-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099245
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 118099158
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole
CID 118099086
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
9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130186143
9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 159217991
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 118099198
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
3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 87156828

Frequently Asked Questions

What is the IUPAC name of 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole?
The IUPAC name of 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole (CID 118099217) is 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole.
What is the SMILES notation for 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole?
The canonical SMILES for 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole is CC1(C)c2ccccc2-c2c1ccc1c2oc2c(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3)cccc21.
What is the InChIKey of 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole?
The InChIKey is IYXMADBGBCPRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO/c1-51(2)44-19-10-9-16-41(44)48-45(51)27-26-40-39-18-11-17-38(49(39)53-50(40)48)34-22-20-33(21-23-34)36-25-29-47-43(31-36)42-30-35(32-12-5-3-6-13-32)24-28-46(42)52(47)37-14-7-4-8-15-37/h3-31H,1-2H3.
What are the key properties of 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole?
3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole has a molecular weight of 677.85 g/mol, XLogP of 13.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole is sourced from PubChem (CID 118099217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).