9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene

C54H41N3 — CID 144919850

IUPAC9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.Cn1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C49H33N3.C5H8/c1-50-44-24-20-32(34-22-26-48-40(28-34)38-16-8-10-18-46(38)51(48)36-12-4-2-5-13-36)30-42(44)43-31-33(21-25-45(43)50)35-23-27-49-41(29-35)39-17-9-11-19-47(39)52(49)37-14-6-3-7-15-37;1-3-5-4-2/h2-31H,1H3;3-5H,1H2,2H3/b;5-4-
InChIKeyYTXVWLIJDUZMCL-GUHKXDMSSA-N
MW731.94 g/mol
LogP14.61
Rot. Bonds5

About 9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene

9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene (PubChem CID 144919850) has the molecular formula C54H41N3 and a molecular weight of 731.94 g/mol. Its IUPAC name is 9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Name9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene
PubChem CID144919850
Molecular FormulaC54H41N3
Molecular Weight731.94 g/mol
Exact Mass731.33
IUPAC Name9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.Cn1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C49H33N3.C5H8/c1-50-44-24-20-32(34-22-26-48-40(28-34)38-16-8-10-18-46(38)51(48)36-12-4-2-5-13-36)30-42(44)43-31-33(21-25-45(43)50)35-23-27-49-41(29-35)39-17-9-11-19-47(39)52(49)37-14-6-3-7-15-37;1-3-5-4-2/h2-31H,1H3;3-5H,1H2,2H3/b;5-4-
InChIKeyYTXVWLIJDUZMCL-GUHKXDMSSA-N
XLogP14.61
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.94
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene
CID 144919690
2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene
CID 144919650
(3Z)-penta-1,3-diene;3-(9-phenylcarbazol-3-yl)-9-[2-(3-phenylphenyl)phenyl]carbazole
CID 142314955
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
3-dibenzofuran-2-yl-9-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;(3Z)-penta-1,3-diene
CID 144644629
3-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;(3Z)-penta-1,3-diene
CID 145210805
3-(9-ethenylcarbazol-3-yl)-9-phenylcarbazole
CID 118406403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
(2E)-3,3-dimethyl-2-[(2Z)-penta-2,4-dienylidene]-1H-indene;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole
CID 142356733
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene?
The IUPAC name of 9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene (CID 144919850) is 9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene.
What is the SMILES notation for 9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene?
The canonical SMILES for 9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene is C=C/C=C\C.Cn1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.
What is the InChIKey of 9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene?
The InChIKey is YTXVWLIJDUZMCL-GUHKXDMSSA-N. The full InChI is InChI=1S/C49H33N3.C5H8/c1-50-44-24-20-32(34-22-26-48-40(28-34)38-16-8-10-18-46(38)51(48)36-12-4-2-5-13-36)30-42(44)43-31-33(21-25-45(43)50)35-23-27-49-41(29-35)39-17-9-11-19-47(39)52(49)37-14-6-3-7-15-37;1-3-5-4-2/h2-31H,1H3;3-5H,1H2,2H3/b;5-4-.
What are the key properties of 9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene?
9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene has a molecular weight of 731.94 g/mol, XLogP of 14.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene is sourced from PubChem (CID 144919850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).