3-[4-methyl-3-[2-(1-triphenylen-2-ylpropyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole

C58H43N — CID 146334118

IUPAC3-[4-methyl-3-[2-(1-triphenylen-2-ylpropyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
SMILESCCC(c1ccc2c3ccccc3c3ccccc3c2c1)c1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2ccccc2)ccc1C
InChIInChI=1S/C58H43N/c1-3-43(42-31-33-51-48-23-9-8-21-46(48)47-22-10-12-25-50(47)54(51)37-42)45-20-7-11-24-49(45)53-35-40(30-29-38(53)2)41-32-34-58-55(36-41)52-26-14-16-28-57(52)59(58)56-27-15-13-19-44(56)39-17-5-4-6-18-39/h4-37,43H,3H2,1-2H3
InChIKeyPAPUBNOHUFUIDI-UHFFFAOYSA-N
MW753.99 g/mol
LogP16.09
Rot. Bonds7

About 3-[4-methyl-3-[2-(1-triphenylen-2-ylpropyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole

3-[4-methyl-3-[2-(1-triphenylen-2-ylpropyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole (PubChem CID 146334118) has the molecular formula C58H43N and a molecular weight of 753.99 g/mol. Its IUPAC name is 3-[4-methyl-3-[2-(1-triphenylen-2-ylpropyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[4-methyl-3-[2-(1-triphenylen-2-ylpropyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
PubChem CID146334118
Molecular FormulaC58H43N
Molecular Weight753.99 g/mol
Exact Mass753.34
IUPAC Name3-[4-methyl-3-[2-(1-triphenylen-2-ylpropyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
SMILESCCC(c1ccc2c3ccccc3c3ccccc3c2c1)c1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2ccccc2)ccc1C
InChIInChI=1S/C58H43N/c1-3-43(42-31-33-51-48-23-9-8-21-46(48)47-22-10-12-25-50(47)54(51)37-42)45-20-7-11-24-49(45)53-35-40(30-29-38(53)2)41-32-34-58-55(36-41)52-26-14-16-28-57(52)59(58)56-27-15-13-19-44(56)39-17-5-4-6-18-39/h4-37,43H,3H2,1-2H3
InChIKeyPAPUBNOHUFUIDI-UHFFFAOYSA-N
XLogP16.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.99
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-pentan-3-yl-9-(2-phenylphenyl)carbazole
CID 175090826
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146226350
9-[2-(2-methylphenyl)phenyl]-3-phenylcarbazole
CID 170070142
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane
CID 144907309
3-(4-methyl-3-phenylphenyl)-9-phenylcarbazole
CID 123587918
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590699
3-(4-chlorophenyl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 167454727
3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170134575
3-(9-phenanthren-9-ylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 146848842
3-(2-carbazol-9-ylphenyl)-9-(2-methylphenyl)carbazole
CID 164986167

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-3-[2-(1-triphenylen-2-ylpropyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole?
The IUPAC name of 3-[4-methyl-3-[2-(1-triphenylen-2-ylpropyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole (CID 146334118) is 3-[4-methyl-3-[2-(1-triphenylen-2-ylpropyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 3-[4-methyl-3-[2-(1-triphenylen-2-ylpropyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 3-[4-methyl-3-[2-(1-triphenylen-2-ylpropyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole is CCC(c1ccc2c3ccccc3c3ccccc3c2c1)c1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2ccccc2)ccc1C.
What is the InChIKey of 3-[4-methyl-3-[2-(1-triphenylen-2-ylpropyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole?
The InChIKey is PAPUBNOHUFUIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N/c1-3-43(42-31-33-51-48-23-9-8-21-46(48)47-22-10-12-25-50(47)54(51)37-42)45-20-7-11-24-49(45)53-35-40(30-29-38(53)2)41-32-34-58-55(36-41)52-26-14-16-28-57(52)59(58)56-27-15-13-19-44(56)39-17-5-4-6-18-39/h4-37,43H,3H2,1-2H3.
What are the key properties of 3-[4-methyl-3-[2-(1-triphenylen-2-ylpropyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole?
3-[4-methyl-3-[2-(1-triphenylen-2-ylpropyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole has a molecular weight of 753.99 g/mol, XLogP of 16.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-3-[2-(1-triphenylen-2-ylpropyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 146334118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).