bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone

C61H38N4O — CID 102359107

IUPACbis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1)c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C61H38N4O/c66-61(39-25-29-41(30-26-39)62-57-23-11-5-17-49(57)51-37-43(33-35-59(51)62)64-53-19-7-1-13-45(53)46-14-2-8-20-54(46)64)40-27-31-42(32-28-40)63-58-24-12-6-18-50(58)52-38-44(34-36-60(52)63)65-55-21-9-3-15-47(55)48-16-4-10-22-56(48)65/h1-38H
InChIKeyIFDVQVBCIBAMQB-UHFFFAOYSA-N
MW843.00 g/mol
LogP15.31
Rot. Bonds6

About bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone

bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone (PubChem CID 102359107) has the molecular formula C61H38N4O and a molecular weight of 843.00 g/mol. Its IUPAC name is bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone.

Molecular Properties

Compound Namebis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
PubChem CID102359107
Molecular FormulaC61H38N4O
Molecular Weight843.00 g/mol
Exact Mass842.30
IUPAC Namebis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1)c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C61H38N4O/c66-61(39-25-29-41(30-26-39)62-57-23-11-5-17-49(57)51-37-43(33-35-59(51)62)64-53-19-7-1-13-45(53)46-14-2-8-20-54(46)64)40-27-31-42(32-28-40)63-58-24-12-6-18-50(58)52-38-44(34-36-60(52)63)65-55-21-9-3-15-47(55)48-16-4-10-22-56(48)65/h1-38H
InChIKeyIFDVQVBCIBAMQB-UHFFFAOYSA-N
XLogP15.31
TPSA36.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.00
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
1-(3-carbazol-9-ylcarbazol-9-yl)ethanone
CID 118391781
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
[3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone
CID 58084752
2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
CID 22287027
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole
CID 140924005
4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde
CID 24814953
phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone
CID 118315065

Frequently Asked Questions

What is the IUPAC name of bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone?
The IUPAC name of bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone (CID 102359107) is bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone.
What is the SMILES notation for bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone?
The canonical SMILES for bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone is O=C(c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1)c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.
What is the InChIKey of bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone?
The InChIKey is IFDVQVBCIBAMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N4O/c66-61(39-25-29-41(30-26-39)62-57-23-11-5-17-49(57)51-37-43(33-35-59(51)62)64-53-19-7-1-13-45(53)46-14-2-8-20-54(46)64)40-27-31-42(32-28-40)63-58-24-12-6-18-50(58)52-38-44(34-36-60(52)63)65-55-21-9-3-15-47(55)48-16-4-10-22-56(48)65/h1-38H.
What are the key properties of bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone?
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone has a molecular weight of 843.00 g/mol, XLogP of 15.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone is sourced from PubChem (CID 102359107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).