2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione

C62H36N4O2 — CID 144761612

IUPAC2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione
SMILESO=C1c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2C(=O)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc21
InChIInChI=1S/C62H36N4O2/c67-61-48-30-26-38(66-58-24-12-6-18-46(58)50-34-40(28-32-60(50)66)64-55-21-9-3-15-43(55)44-16-4-10-22-56(44)64)36-52(48)62(68)47-29-25-37(35-51(47)61)65-57-23-11-5-17-45(57)49-33-39(27-31-59(49)65)63-53-19-7-1-13-41(53)42-14-2-8-20-54(42)63/h1-36H
InChIKeyYPYSONGXPBLRTB-UHFFFAOYSA-N
MW869.00 g/mol
LogP14.85
Rot. Bonds4

About 2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione

2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione (PubChem CID 144761612) has the molecular formula C62H36N4O2 and a molecular weight of 869.00 g/mol. Its IUPAC name is 2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione.

Molecular Properties

Compound Name2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione
PubChem CID144761612
Molecular FormulaC62H36N4O2
Molecular Weight869.00 g/mol
Exact Mass868.28
IUPAC Name2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione
SMILESO=C1c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2C(=O)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc21
InChIInChI=1S/C62H36N4O2/c67-61-48-30-26-38(66-58-24-12-6-18-46(58)50-34-40(28-32-60(50)66)64-55-21-9-3-15-43(55)44-16-4-10-22-56(44)64)36-52(48)62(68)47-29-25-37(35-51(47)61)65-57-23-11-5-17-45(57)49-33-39(27-31-59(49)65)63-53-19-7-1-13-41(53)42-14-2-8-20-54(42)63/h1-36H
InChIKeyYPYSONGXPBLRTB-UHFFFAOYSA-N
XLogP14.85
TPSA53.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.00
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2,6-di(carbazol-9-yl)anthracene-9,10-dione
CID 23584855
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 121274428
3-carbazol-9-yl-9-[3-(2,5-diphenylphenyl)-4-phenylphenyl]carbazole
CID 146872026
1-(3-carbazol-9-ylcarbazol-9-yl)ethanone
CID 118391781
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 138735931
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione?
The IUPAC name of 2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione (CID 144761612) is 2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione.
What is the SMILES notation for 2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione?
The canonical SMILES for 2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione is O=C1c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2C(=O)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc21.
What is the InChIKey of 2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione?
The InChIKey is YPYSONGXPBLRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N4O2/c67-61-48-30-26-38(66-58-24-12-6-18-46(58)50-34-40(28-32-60(50)66)64-55-21-9-3-15-43(55)44-16-4-10-22-56(44)64)36-52(48)62(68)47-29-25-37(35-51(47)61)65-57-23-11-5-17-45(57)49-33-39(27-31-59(49)65)63-53-19-7-1-13-41(53)42-14-2-8-20-54(42)63/h1-36H.
What are the key properties of 2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione?
2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione has a molecular weight of 869.00 g/mol, XLogP of 14.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione is sourced from PubChem (CID 144761612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).