3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole

C56H35NO — CID 121400315

IUPAC3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7oc8ccccc8c7c6)ccc4C54c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C56H35NO/c1-34-18-24-39(25-19-34)57-52-16-8-4-12-42(52)46-32-37(22-28-53(46)57)35-20-26-50-44(30-35)45-31-36(38-23-29-55-47(33-38)43-13-5-9-17-54(43)58-55)21-27-51(45)56(50)48-14-6-2-10-40(48)41-11-3-7-15-49(41)56/h2-33H,1H3
InChIKeyAVDCJDVMCAIPSZ-UHFFFAOYSA-N
MW737.90 g/mol
LogP14.67
Rot. Bonds3

About 3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole

3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole (PubChem CID 121400315) has the molecular formula C56H35NO and a molecular weight of 737.90 g/mol. Its IUPAC name is 3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole.

Molecular Properties

Compound Name3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
PubChem CID121400315
Molecular FormulaC56H35NO
Molecular Weight737.90 g/mol
Exact Mass737.27
IUPAC Name3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7oc8ccccc8c7c6)ccc4C54c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C56H35NO/c1-34-18-24-39(25-19-34)57-52-16-8-4-12-42(52)46-32-37(22-28-53(46)57)35-20-26-50-44(30-35)45-31-36(38-23-29-55-47(33-38)43-13-5-9-17-54(43)58-55)21-27-51(45)56(50)48-14-6-2-10-40(48)41-11-3-7-15-49(41)56/h2-33H,1H3
InChIKeyAVDCJDVMCAIPSZ-UHFFFAOYSA-N
XLogP14.67
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.90
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole
CID 153483764
3-(3-dibenzofuran-2-ylphenyl)-9-(9,9-diphenylfluoren-3-yl)carbazole
CID 137466613
9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;9-(9,9'-spirobi[fluorene]-3-yl)carbazole;2-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran;2-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene
CID 158488160
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 137401879
CID 134551686
CID 134551686
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424697
3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene]
CID 145360960
CID 134551634
CID 134551634
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158323830
2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
CID 146397383

Frequently Asked Questions

What is the IUPAC name of 3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole?
The IUPAC name of 3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole (CID 121400315) is 3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole.
What is the SMILES notation for 3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole?
The canonical SMILES for 3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4cc(-c6ccc7oc8ccccc8c7c6)ccc4C54c5ccccc5-c5ccccc54)ccc32)cc1.
What is the InChIKey of 3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole?
The InChIKey is AVDCJDVMCAIPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO/c1-34-18-24-39(25-19-34)57-52-16-8-4-12-42(52)46-32-37(22-28-53(46)57)35-20-26-50-44(30-35)45-31-36(38-23-29-55-47(33-38)43-13-5-9-17-54(43)58-55)21-27-51(45)56(50)48-14-6-2-10-40(48)41-11-3-7-15-49(41)56/h2-33H,1H3.
What are the key properties of 3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole?
3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole has a molecular weight of 737.90 g/mol, XLogP of 14.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole is sourced from PubChem (CID 121400315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).