3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole

C53H43N — CID 170134575

IUPAC3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole
SMILESCCC(Cc1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)ccc1C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C53H43N/c1-3-38(42-20-14-21-43(34-42)40-17-8-5-9-18-40)33-46-19-10-11-22-48(46)50-35-44(26-25-37(50)2)45-29-32-53-51(36-45)49-23-12-13-24-52(49)54(53)47-30-27-41(28-31-47)39-15-6-4-7-16-39/h4-32,34-36,38H,3,33H2,1-2H3
InChIKeyZXDQJYIRMIACRU-UHFFFAOYSA-N
MW693.93 g/mol
LogP14.50
Rot. Bonds9

About 3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole

3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole (PubChem CID 170134575) has the molecular formula C53H43N and a molecular weight of 693.93 g/mol. Its IUPAC name is 3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole
PubChem CID170134575
Molecular FormulaC53H43N
Molecular Weight693.93 g/mol
Exact Mass693.34
IUPAC Name3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole
SMILESCCC(Cc1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)ccc1C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C53H43N/c1-3-38(42-20-14-21-43(34-42)40-17-8-5-9-18-40)33-46-19-10-11-22-48(46)50-35-44(26-25-37(50)2)45-29-32-53-51(36-45)49-23-12-13-24-52(49)54(53)47-30-27-41(28-31-47)39-15-6-4-7-16-39/h4-32,34-36,38H,3,33H2,1-2H3
InChIKeyZXDQJYIRMIACRU-UHFFFAOYSA-N
XLogP14.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.93
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methyl-3-phenylphenyl)-9-phenylcarbazole
CID 123587918
3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole
CID 126760057
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane
CID 144907309
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
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
9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole
CID 70879569
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole (CID 170134575) is 3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole is CCC(Cc1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)ccc1C)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole?
The InChIKey is ZXDQJYIRMIACRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N/c1-3-38(42-20-14-21-43(34-42)40-17-8-5-9-18-40)33-46-19-10-11-22-48(46)50-35-44(26-25-37(50)2)45-29-32-53-51(36-45)49-23-12-13-24-52(49)54(53)47-30-27-41(28-31-47)39-15-6-4-7-16-39/h4-32,34-36,38H,3,33H2,1-2H3.
What are the key properties of 3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole?
3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole has a molecular weight of 693.93 g/mol, XLogP of 14.50, 9 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-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 170134575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).