9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole

C64H44N8 — CID 145186412

IUPAC9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole
SMILESCC1CC=Cc2c1c1ccccc1n2C12CC1(n1c3ccccc3c3ccccc31)C(c1ncccn1)=C(n1c3ccccc3c3ccccc31)C(n1c3ccccc3c3ccccc31)=C2c1ncccn1
InChIInChI=1S/C64H44N8/c1-40-19-16-34-55-56(40)47-26-8-15-33-54(47)72(55)64-39-63(64,71-52-31-13-6-24-45(52)46-25-7-14-32-53(46)71)57(61-65-35-17-36-66-61)59(69-48-27-9-2-20-41(48)42-21-3-10-28-49(42)69)60(58(64)62-67-37-18-38-68-62)70-50-29-11-4-22-43(50)44-23-5-12-30-51(44)70/h2-18,20-38,40H,19,39H2,1H3
InChIKeyUPAIAXTZALKGGR-UHFFFAOYSA-N
MW925.11 g/mol
LogP14.71
Rot. Bonds6

About 9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole

9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole (PubChem CID 145186412) has the molecular formula C64H44N8 and a molecular weight of 925.11 g/mol. Its IUPAC name is 9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole.

Molecular Properties

Compound Name9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole
PubChem CID145186412
Molecular FormulaC64H44N8
Molecular Weight925.11 g/mol
Exact Mass924.37
IUPAC Name9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole
SMILESCC1CC=Cc2c1c1ccccc1n2C12CC1(n1c3ccccc3c3ccccc31)C(c1ncccn1)=C(n1c3ccccc3c3ccccc31)C(n1c3ccccc3c3ccccc31)=C2c1ncccn1
InChIInChI=1S/C64H44N8/c1-40-19-16-34-55-56(40)47-26-8-15-33-54(47)72(55)64-39-63(64,71-52-31-13-6-24-45(52)46-25-7-14-32-53(46)71)57(61-65-35-17-36-66-61)59(69-48-27-9-2-20-41(48)42-21-3-10-28-49(42)69)60(58(64)62-67-37-18-38-68-62)70-50-29-11-4-22-43(50)44-23-5-12-30-51(44)70/h2-18,20-38,40H,19,39H2,1H3
InChIKeyUPAIAXTZALKGGR-UHFFFAOYSA-N
XLogP14.71
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.11
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole with MolForge

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Related Compounds

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CID 91287445
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4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole
CID 144884300
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9-dibenzofuran-4-yl-3-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole
CID 159339879
8-[4-[4-[2-[4-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]propan-2-yl]phenyl]phenyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
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Frequently Asked Questions

What is the IUPAC name of 9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole?
The IUPAC name of 9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole (CID 145186412) is 9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole.
What is the SMILES notation for 9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole?
The canonical SMILES for 9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole is CC1CC=Cc2c1c1ccccc1n2C12CC1(n1c3ccccc3c3ccccc31)C(c1ncccn1)=C(n1c3ccccc3c3ccccc31)C(n1c3ccccc3c3ccccc31)=C2c1ncccn1.
What is the InChIKey of 9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole?
The InChIKey is UPAIAXTZALKGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N8/c1-40-19-16-34-55-56(40)47-26-8-15-33-54(47)72(55)64-39-63(64,71-52-31-13-6-24-45(52)46-25-7-14-32-53(46)71)57(61-65-35-17-36-66-61)59(69-48-27-9-2-20-41(48)42-21-3-10-28-49(42)69)60(58(64)62-67-37-18-38-68-62)70-50-29-11-4-22-43(50)44-23-5-12-30-51(44)70/h2-18,20-38,40H,19,39H2,1H3.
What are the key properties of 9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole?
9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole has a molecular weight of 925.11 g/mol, XLogP of 14.71, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,4-di(carbazol-9-yl)-6-(4-methyl-3,4-dihydrocarbazol-9-yl)-2,5-di(pyrimidin-2-yl)-1-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole is sourced from PubChem (CID 145186412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).