3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole

C61H38N2O — CID 137401879

IUPAC3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc54)cc32)cc1
InChIInChI=1S/C61H38N2O/c1-3-15-41(16-4-1)61(42-17-5-2-6-18-42)53-23-11-7-19-45(53)46-31-29-44(38-54(46)61)63-56-25-13-9-21-48(56)51-36-40(28-33-58(51)63)39-27-32-57-50(35-39)47-20-8-12-24-55(47)62(57)43-30-34-60-52(37-43)49-22-10-14-26-59(49)64-60/h1-38H
InChIKeyYMWUVCUOQMBMJG-UHFFFAOYSA-N
MW814.99 g/mol
LogP15.81
Rot. Bonds5

About 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole

3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole (PubChem CID 137401879) has the molecular formula C61H38N2O and a molecular weight of 814.99 g/mol. Its IUPAC name is 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole.

Molecular Properties

Compound Name3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole
PubChem CID137401879
Molecular FormulaC61H38N2O
Molecular Weight814.99 g/mol
Exact Mass814.30
IUPAC Name3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc54)cc32)cc1
InChIInChI=1S/C61H38N2O/c1-3-15-41(16-4-1)61(42-17-5-2-6-18-42)53-23-11-7-19-45(53)46-31-29-44(38-54(46)61)63-56-25-13-9-21-48(56)51-36-40(28-33-58(51)63)39-27-32-57-50(35-39)47-20-8-12-24-55(47)62(57)43-30-34-60-52(37-43)49-22-10-14-26-59(49)64-60/h1-38H
InChIKeyYMWUVCUOQMBMJG-UHFFFAOYSA-N
XLogP15.81
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-dibenzofuran-2-ylphenyl)-9-(9,9-diphenylfluoren-3-yl)carbazole
CID 137466613
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
9-(9,9-diphenylfluoren-2-yl)-3-(9-oxapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)carbazole
CID 129272142
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-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 89426453
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
N-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118505770
N-[2-[2-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 118086732
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424697
3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
CID 121400315
3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 159140546

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole?
The IUPAC name of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole (CID 137401879) is 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole.
What is the SMILES notation for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole?
The canonical SMILES for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc54)cc32)cc1.
What is the InChIKey of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole?
The InChIKey is YMWUVCUOQMBMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2O/c1-3-15-41(16-4-1)61(42-17-5-2-6-18-42)53-23-11-7-19-45(53)46-31-29-44(38-54(46)61)63-56-25-13-9-21-48(56)51-36-40(28-33-58(51)63)39-27-32-57-50(35-39)47-20-8-12-24-55(47)62(57)43-30-34-60-52(37-43)49-22-10-14-26-59(49)64-60/h1-38H.
What are the key properties of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole?
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole has a molecular weight of 814.99 g/mol, XLogP of 15.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole is sourced from PubChem (CID 137401879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).