CID 134551686

C56H33NO — CID 134551686

IUPAC—
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3cc4c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c4cc32)c2ccccc21
InChIInChI=1S/C56H33NO/c1-6-20-43-35(15-1)36-16-2-7-21-44(36)55(43)46-23-9-11-25-48(46)56(49-26-12-10-24-47(49)55)45-22-8-3-17-37(45)40-32-41-38-18-4-13-27-51(38)57(52(41)33-50(40)56)34-29-30-54-42(31-34)39-19-5-14-28-53(39)58-54/h1-33H
InChIKeyVQDWTRYAIUDLAL-UHFFFAOYSA-N
MW735.89 g/mol
LogP13.72
Rot. Bonds1

About CID 134551686

CID 134551686 (PubChem CID 134551686) has the molecular formula C56H33NO and a molecular weight of 735.89 g/mol.

Molecular Properties

Compound NameCID 134551686
PubChem CID134551686
Molecular FormulaC56H33NO
Molecular Weight735.89 g/mol
Exact Mass735.26
IUPAC Name—
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3cc4c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c4cc32)c2ccccc21
InChIInChI=1S/C56H33NO/c1-6-20-43-35(15-1)36-16-2-7-21-44(36)55(43)46-23-9-11-25-48(46)56(49-26-12-10-24-47(49)55)45-22-8-3-17-37(45)40-32-41-38-18-4-13-27-51(38)57(52(41)33-50(40)56)34-29-30-54-42(31-34)39-19-5-14-28-53(39)58-54/h1-33H
InChIKeyVQDWTRYAIUDLAL-UHFFFAOYSA-N
XLogP13.72
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.89
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 134551634
CID 134551634
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole
CID 153483764
CID 134551673
CID 134551673
5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 129136413
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 137401879
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
CID 121400315
12'-dibenzofuran-2-ylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253710
5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 169014242
8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one
CID 125495771
5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 134313263

Frequently Asked Questions

What is the IUPAC name of CID 134551686?
The IUPAC name of CID 134551686 (CID 134551686) is not available.
What is the SMILES notation for CID 134551686?
The canonical SMILES for CID 134551686 is c1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3cc4c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c4cc32)c2ccccc21.
What is the InChIKey of CID 134551686?
The InChIKey is VQDWTRYAIUDLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33NO/c1-6-20-43-35(15-1)36-16-2-7-21-44(36)55(43)46-23-9-11-25-48(46)56(49-26-12-10-24-47(49)55)45-22-8-3-17-37(45)40-32-41-38-18-4-13-27-51(38)57(52(41)33-50(40)56)34-29-30-54-42(31-34)39-19-5-14-28-53(39)58-54/h1-33H.
What are the key properties of CID 134551686?
CID 134551686 has a molecular weight of 735.89 g/mol, XLogP of 13.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134551686 is sourced from PubChem (CID 134551686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).