1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one

C29H25NO — CID 140927721

IUPAC1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C29H25NO/c1-2-3-15-29(31)23-10-8-9-22(20-23)21-16-18-24(19-17-21)30-27-13-6-4-11-25(27)26-12-5-7-14-28(26)30/h4-14,16-20H,2-3,15H2,1H3
InChIKeyJZQRPRLMYOWDTP-UHFFFAOYSA-N
MW403.53 g/mol
LogP7.82
Rot. Bonds6

About 1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one

1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one (PubChem CID 140927721) has the molecular formula C29H25NO and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one.

Molecular Properties

Compound Name1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one
PubChem CID140927721
Molecular FormulaC29H25NO
Molecular Weight403.53 g/mol
Exact Mass403.19
IUPAC Name1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C29H25NO/c1-2-3-15-29(31)23-10-8-9-22(20-23)21-16-18-24(19-17-21)30-27-13-6-4-11-25(27)26-12-5-7-14-28(26)30/h4-14,16-20H,2-3,15H2,1H3
InChIKeyJZQRPRLMYOWDTP-UHFFFAOYSA-N
XLogP7.82
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9-phenylcarbazol-3-yl)pentan-1-one
CID 140927753
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-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
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
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-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
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
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-[4-[4-[4-[4-[3-[4-[4,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 58943409

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one?
The IUPAC name of 1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one (CID 140927721) is 1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one.
What is the SMILES notation for 1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one?
The canonical SMILES for 1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one is CCCCC(=O)c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of 1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one?
The InChIKey is JZQRPRLMYOWDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO/c1-2-3-15-29(31)23-10-8-9-22(20-23)21-16-18-24(19-17-21)30-27-13-6-4-11-25(27)26-12-5-7-14-28(26)30/h4-14,16-20H,2-3,15H2,1H3.
What are the key properties of 1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one?
1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one has a molecular weight of 403.53 g/mol, XLogP of 7.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one is sourced from PubChem (CID 140927721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).