2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate

C44H38N2O2 — CID 163588358

IUPAC2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate
SMILESCCCC(C)(C)OC(=O)Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C44H38N2O2/c1-4-27-44(2,3)48-43(47)29-30-17-26-42-38(28-30)37-13-7-10-16-41(37)46(42)34-24-20-32(21-25-34)31-18-22-33(23-19-31)45-39-14-8-5-11-35(39)36-12-6-9-15-40(36)45/h5-26,28H,4,27,29H2,1-3H3
InChIKeyGNKBUHVARULKGV-UHFFFAOYSA-N
MW626.80 g/mol
LogP11.21
Rot. Bonds8

About 2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate

2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate (PubChem CID 163588358) has the molecular formula C44H38N2O2 and a molecular weight of 626.80 g/mol. Its IUPAC name is 2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate.

Molecular Properties

Compound Name2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate
PubChem CID163588358
Molecular FormulaC44H38N2O2
Molecular Weight626.80 g/mol
Exact Mass626.29
IUPAC Name2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate
SMILESCCCC(C)(C)OC(=O)Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C44H38N2O2/c1-4-27-44(2,3)48-43(47)29-30-17-26-42-38(28-30)37-13-7-10-16-41(37)46(42)34-24-20-32(21-25-34)31-18-22-33(23-19-31)45-39-14-8-5-11-35(39)36-12-6-9-15-40(36)45/h5-26,28H,4,27,29H2,1-3H3
InChIKeyGNKBUHVARULKGV-UHFFFAOYSA-N
XLogP11.21
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.80
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate with MolForge

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Related Compounds

2-[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methoxy]ethyl 2,2-dimethylpentanoate
CID 147029302
[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol
CID 58625620
[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl 4-(2-methylbutan-2-yl)benzoate;molecular hydrogen
CID 159115157
9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole
CID 59273670
9-(4-phenylphenyl)-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 158819686
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
4-(4-carbazol-9-ylphenyl)-N-[4-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-4-[4-(N-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-4-[4-(N-[4-(3,6-diethylcarbazol-9-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 160593676
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 163903365
methyl 2-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-[4-(2-methoxy-2-oxoethyl)phenyl]anthracen-9-yl]phenyl]acetate
CID 88569869
(E)-1-[4-(4-carbazol-9-ylphenyl)phenyl]hex-2-en-2-amine
CID 143224441

Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate?
The IUPAC name of 2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate (CID 163588358) is 2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate.
What is the SMILES notation for 2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate?
The canonical SMILES for 2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate is CCCC(C)(C)OC(=O)Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate?
The InChIKey is GNKBUHVARULKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38N2O2/c1-4-27-44(2,3)48-43(47)29-30-17-26-42-38(28-30)37-13-7-10-16-41(37)46(42)34-24-20-32(21-25-34)31-18-22-33(23-19-31)45-39-14-8-5-11-35(39)36-12-6-9-15-40(36)45/h5-26,28H,4,27,29H2,1-3H3.
What are the key properties of 2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate?
2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate has a molecular weight of 626.80 g/mol, XLogP of 11.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate is sourced from PubChem (CID 163588358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).