9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole

C62H42N4 — CID 71232675

IUPAC9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
SMILESCn1c2ccc(-c3ccccc3)cc2c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6C)ccc43)ccc21
InChIInChI=1S/C62H42N4/c1-63-55-27-21-41(39-13-5-3-6-14-39)33-51(55)53-37-45(25-31-57(53)63)65-59-19-11-9-17-47(59)49-35-43(23-29-61(49)65)44-24-30-62-50(36-44)48-18-10-12-20-60(48)66(62)46-26-32-58-54(38-46)52-34-42(22-28-56(52)64(58)2)40-15-7-4-8-16-40/h3-38H,1-2H3
InChIKeyGQPXOPXPDFWYLP-UHFFFAOYSA-N
MW843.05 g/mol
LogP16.17
Rot. Bonds5

About 9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole

9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole (PubChem CID 71232675) has the molecular formula C62H42N4 and a molecular weight of 843.05 g/mol. Its IUPAC name is 9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole.

Molecular Properties

Compound Name9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
PubChem CID71232675
Molecular FormulaC62H42N4
Molecular Weight843.05 g/mol
Exact Mass842.34
IUPAC Name9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
SMILESCn1c2ccc(-c3ccccc3)cc2c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6C)ccc43)ccc21
InChIInChI=1S/C62H42N4/c1-63-55-27-21-41(39-13-5-3-6-14-39)33-51(55)53-37-45(25-31-57(53)63)65-59-19-11-9-17-47(59)49-35-43(23-29-61(49)65)44-24-30-62-50(36-44)48-18-10-12-20-60(48)66(62)46-26-32-58-54(38-46)52-34-42(22-28-56(52)64(58)2)40-15-7-4-8-16-40/h3-38H,1-2H3
InChIKeyGQPXOPXPDFWYLP-UHFFFAOYSA-N
XLogP16.17
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.05
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351
9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole
CID 118335035
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 138662748
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole?
The IUPAC name of 9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole (CID 71232675) is 9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole.
What is the SMILES notation for 9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole?
The canonical SMILES for 9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole is Cn1c2ccc(-c3ccccc3)cc2c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6C)ccc43)ccc21.
What is the InChIKey of 9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole?
The InChIKey is GQPXOPXPDFWYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N4/c1-63-55-27-21-41(39-13-5-3-6-14-39)33-51(55)53-37-45(25-31-57(53)63)65-59-19-11-9-17-47(59)49-35-43(23-29-61(49)65)44-24-30-62-50(36-44)48-18-10-12-20-60(48)66(62)46-26-32-58-54(38-46)52-34-42(22-28-56(52)64(58)2)40-15-7-4-8-16-40/h3-38H,1-2H3.
What are the key properties of 9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole?
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole has a molecular weight of 843.05 g/mol, XLogP of 16.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole is sourced from PubChem (CID 71232675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).