bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole

C54H63N3O — CID 144884346

IUPACbis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole
SMILESC/C=C\C.C/C=C\C.CC.CC.CC.Cc1ccc2c3ccccc3n(-c3nc(-c4ccccc4)nc4ccccc34)c2c1.Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C27H19N3.C13H10O.2C4H8.3C2H6/c1-18-15-16-21-20-11-6-8-14-24(20)30(25(21)17-18)27-22-12-5-7-13-23(22)28-26(29-27)19-9-3-2-4-10-19;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;2*1-3-4-2;3*1-2/h2-17H,1H3;2-8H,1H3;2*3-4H,1-2H3;3*1-2H3/b;;2*4-3-;;;
InChIKeyUUXBPIMEDOKFMI-WIVWRBNZSA-N
MW770.12 g/mol
LogP16.84
Rot. Bonds2

About bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole

bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole (PubChem CID 144884346) has the molecular formula C54H63N3O and a molecular weight of 770.12 g/mol. Its IUPAC name is bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole.

Molecular Properties

Compound Namebis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole
PubChem CID144884346
Molecular FormulaC54H63N3O
Molecular Weight770.12 g/mol
Exact Mass769.50
IUPAC Namebis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole
SMILESC/C=C\C.C/C=C\C.CC.CC.CC.Cc1ccc2c3ccccc3n(-c3nc(-c4ccccc4)nc4ccccc34)c2c1.Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C27H19N3.C13H10O.2C4H8.3C2H6/c1-18-15-16-21-20-11-6-8-14-24(20)30(25(21)17-18)27-22-12-5-7-13-23(22)28-26(29-27)19-9-3-2-4-10-19;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;2*1-3-4-2;3*1-2/h2-17H,1H3;2-8H,1H3;2*3-4H,1-2H3;3*1-2H3/b;;2*4-3-;;;
InChIKeyUUXBPIMEDOKFMI-WIVWRBNZSA-N
XLogP16.84
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.12
LogP ≤ 516.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(6-methyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164986979
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,18-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 118301187
3-methyl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163974052
2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzofuran-2-yl-7-methylcarbazole
CID 176750740
9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 165051640
5-methylbenzimidazolo[1,2-a]benzimidazole;bis(9-methylcarbazole);2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;toluene
CID 162116737
3,6-dimethyldibenzofuran;ethane
CID 142097287
3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170251153
9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole
CID 159575146
3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146336134
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-[1]benzofuro[2,3-b]carbazole
CID 66829163
12-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 146573160

Frequently Asked Questions

What is the IUPAC name of bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole?
The IUPAC name of bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole (CID 144884346) is bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole.
What is the SMILES notation for bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole?
The canonical SMILES for bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole is C/C=C\C.C/C=C\C.CC.CC.CC.Cc1ccc2c3ccccc3n(-c3nc(-c4ccccc4)nc4ccccc34)c2c1.Cc1cccc2c1oc1ccccc12.
What is the InChIKey of bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole?
The InChIKey is UUXBPIMEDOKFMI-WIVWRBNZSA-N. The full InChI is InChI=1S/C27H19N3.C13H10O.2C4H8.3C2H6/c1-18-15-16-21-20-11-6-8-14-24(20)30(25(21)17-18)27-22-12-5-7-13-23(22)28-26(29-27)19-9-3-2-4-10-19;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;2*1-3-4-2;3*1-2/h2-17H,1H3;2-8H,1H3;2*3-4H,1-2H3;3*1-2H3/b;;2*4-3-;;;.
What are the key properties of bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole?
bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole has a molecular weight of 770.12 g/mol, XLogP of 16.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-but-2-ene);ethane;4-methyldibenzofuran;2-methyl-9-(2-phenylquinazolin-4-yl)carbazole is sourced from PubChem (CID 144884346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).