9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole

C47H46N2O — CID 59273670

IUPAC9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole
SMILESCCCCCOCCCCCCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C47H46N2O/c1-2-3-13-32-50-33-14-5-4-6-15-35-22-31-47-43(34-35)42-18-9-12-21-46(42)49(47)39-29-25-37(26-30-39)36-23-27-38(28-24-36)48-44-19-10-7-16-40(44)41-17-8-11-20-45(41)48/h7-12,16-31,34H,2-6,13-15,32-33H2,1H3
InChIKeyOWARYRVGDMJQLV-UHFFFAOYSA-N
MW654.90 g/mol
LogP12.86
Rot. Bonds14

About 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole

9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole (PubChem CID 59273670) has the molecular formula C47H46N2O and a molecular weight of 654.90 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole.

Molecular Properties

Compound Name9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole
PubChem CID59273670
Molecular FormulaC47H46N2O
Molecular Weight654.90 g/mol
Exact Mass654.36
IUPAC Name9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole
SMILESCCCCCOCCCCCCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C47H46N2O/c1-2-3-13-32-50-33-14-5-4-6-15-35-22-31-47-43(34-35)42-18-9-12-21-46(42)49(47)39-29-25-37(26-30-39)36-23-27-38(28-24-36)48-44-19-10-7-16-40(44)41-17-8-11-20-45(41)48/h7-12,16-31,34H,2-6,13-15,32-33H2,1H3
InChIKeyOWARYRVGDMJQLV-UHFFFAOYSA-N
XLogP12.86
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.90
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306813
9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 163903365
9-[4-[4-[4-(3,6-dihexylcarbazol-9-yl)phenyl]-2,5-dihexylphenyl]phenyl]-3,6-dihexylcarbazole
CID 154973928
12,26-bis(4-decylphenyl)-2,16-diphenyl-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6,8,10,13,16,18,20,22,24,27-tridecaene
CID 86703822
3,6-bis(3-butoxypropyl)-9-[4-[4-(3,6-dibutylcarbazol-9-yl)phenyl]phenyl]carbazole;3-(3-butoxypropyl)-9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[3-[(2-methylpropan-2-yl)oxy]propyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(3-propan-2-yloxypropyl)carbazole
CID 158049920
3,6-dibutyl-9-[4-[4-[3-[4-(3-butylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-pyridinyl]phenyl]carbazole
CID 146355722
methyl 9-(4-octylphenyl)-6-[9-(4-octylphenyl)carbazole-3-carbonyl]carbazole-3-carboxylate
CID 101462869
[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol
CID 58625620
9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole
CID 161246536
3-methyl-9-[8-[3-(3-octylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 126754777
9-[4-[3-(4-carbazol-9-ylphenyl)-7-dodecylpyren-1-yl]phenyl]carbazole
CID 139380326
ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole
CID 153373641

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole?
The IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole (CID 59273670) is 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole.
What is the SMILES notation for 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole?
The canonical SMILES for 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole is CCCCCOCCCCCCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole?
The InChIKey is OWARYRVGDMJQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H46N2O/c1-2-3-13-32-50-33-14-5-4-6-15-35-22-31-47-43(34-35)42-18-9-12-21-46(42)49(47)39-29-25-37(26-30-39)36-23-27-38(28-24-36)48-44-19-10-7-16-40(44)41-17-8-11-20-45(41)48/h7-12,16-31,34H,2-6,13-15,32-33H2,1H3.
What are the key properties of 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole?
9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole has a molecular weight of 654.90 g/mol, XLogP of 12.86, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole is sourced from PubChem (CID 59273670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).