5-[9-[4-(8-fluorodibenzofuran-4-yl)phenyl]-9-phenylfluoren-4-yl]-7,7-dimethylindeno[2,1-b]carbazole

C58H38FNO — CID 164769001

IUPAC5-[9-[4-(8-fluorodibenzofuran-4-yl)phenyl]-9-phenylfluoren-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccc(-c5cccc6c5oc5ccc(F)cc56)cc4)c3cc21
InChIInChI=1S/C58H38FNO/c1-57(2)47-21-9-6-16-40(47)44-33-45-41-17-8-11-24-51(41)60(53(45)34-50(44)57)52-25-13-23-49-55(52)43-18-7-10-22-48(43)58(49,36-14-4-3-5-15-36)37-28-26-35(27-29-37)39-19-12-20-42-46-32-38(59)30-31-54(46)61-56(39)42/h3-34H,1-2H3
InChIKeyBIFSZECGNNAECF-UHFFFAOYSA-N
MW783.95 g/mol
LogP15.16
Rot. Bonds4

About 5-[9-[4-(8-fluorodibenzofuran-4-yl)phenyl]-9-phenylfluoren-4-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[9-[4-(8-fluorodibenzofuran-4-yl)phenyl]-9-phenylfluoren-4-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 164769001) has the molecular formula C58H38FNO and a molecular weight of 783.95 g/mol. Its IUPAC name is 5-[9-[4-(8-fluorodibenzofuran-4-yl)phenyl]-9-phenylfluoren-4-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[9-[4-(8-fluorodibenzofuran-4-yl)phenyl]-9-phenylfluoren-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID164769001
Molecular FormulaC58H38FNO
Molecular Weight783.95 g/mol
Exact Mass783.29
IUPAC Name5-[9-[4-(8-fluorodibenzofuran-4-yl)phenyl]-9-phenylfluoren-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccc(-c5cccc6c5oc5ccc(F)cc56)cc4)c3cc21
InChIInChI=1S/C58H38FNO/c1-57(2)47-21-9-6-16-40(47)44-33-45-41-17-8-11-24-51(41)60(53(45)34-50(44)57)52-25-13-23-49-55(52)43-18-7-10-22-48(43)58(49,36-14-4-3-5-15-36)37-28-26-35(27-29-37)39-19-12-20-42-46-32-38(59)30-31-54(46)61-56(39)42/h3-34H,1-2H3
InChIKeyBIFSZECGNNAECF-UHFFFAOYSA-N
XLogP15.16
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.95
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 170015359
7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 170277611
CID 118153752
CID 118153752
3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 138744026
N-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine;5-[9-[4-(8-fluorodibenzofuran-4-yl)phenyl]-9-phenylfluoren-4-yl]-7,7-dimethylindeno[2,1-b]carbazole;9-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-(trideuteriomethyl)fluoren-2-amine;N-[4-[4-[9-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-9-phenylfluoren-1-yl]phenyl]phenyl]-N,4-diphenylaniline;10-[9-[4-(8-methyldibenzofuran-4-yl)phenyl]-9-phenylfluoren-2-yl]-3-phenylphenoxazine
CID 165105146
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine;N-[4-(4-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine
CID 157322153
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
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
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 160755844
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146336057
N-[4-[3-[9-(9,9-diphenylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
CID 118462558

Frequently Asked Questions

What is the IUPAC name of 5-[9-[4-(8-fluorodibenzofuran-4-yl)phenyl]-9-phenylfluoren-4-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[9-[4-(8-fluorodibenzofuran-4-yl)phenyl]-9-phenylfluoren-4-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 164769001) is 5-[9-[4-(8-fluorodibenzofuran-4-yl)phenyl]-9-phenylfluoren-4-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[9-[4-(8-fluorodibenzofuran-4-yl)phenyl]-9-phenylfluoren-4-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[9-[4-(8-fluorodibenzofuran-4-yl)phenyl]-9-phenylfluoren-4-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccc(-c5cccc6c5oc5ccc(F)cc56)cc4)c3cc21.
What is the InChIKey of 5-[9-[4-(8-fluorodibenzofuran-4-yl)phenyl]-9-phenylfluoren-4-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is BIFSZECGNNAECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38FNO/c1-57(2)47-21-9-6-16-40(47)44-33-45-41-17-8-11-24-51(41)60(53(45)34-50(44)57)52-25-13-23-49-55(52)43-18-7-10-22-48(43)58(49,36-14-4-3-5-15-36)37-28-26-35(27-29-37)39-19-12-20-42-46-32-38(59)30-31-54(46)61-56(39)42/h3-34H,1-2H3.
What are the key properties of 5-[9-[4-(8-fluorodibenzofuran-4-yl)phenyl]-9-phenylfluoren-4-yl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[9-[4-(8-fluorodibenzofuran-4-yl)phenyl]-9-phenylfluoren-4-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 783.95 g/mol, XLogP of 15.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[4-(8-fluorodibenzofuran-4-yl)phenyl]-9-phenylfluoren-4-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 164769001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).