2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-6-piperidin-1-yl-10H-anthracen-9-one

C39H34N2O — CID 165377250

IUPAC2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-6-piperidin-1-yl-10H-anthracen-9-one
SMILESCc1cccc2c3cccc(C)c3n(-c3ccc(-c4ccc5c(c4)C(=O)c4ccc(N6CCCCC6)cc4C5)cc3)c12
InChIInChI=1S/C39H34N2O/c1-25-8-6-10-34-35-11-7-9-26(2)38(35)41(37(25)34)31-16-14-27(15-17-31)28-12-13-29-22-30-23-32(40-20-4-3-5-21-40)18-19-33(30)39(42)36(29)24-28/h6-19,23-24H,3-5,20-22H2,1-2H3
InChIKeyWNDBKIXHHBDKHA-UHFFFAOYSA-N
MW546.71 g/mol
LogP9.19
Rot. Bonds3

About 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-6-piperidin-1-yl-10H-anthracen-9-one

2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-6-piperidin-1-yl-10H-anthracen-9-one (PubChem CID 165377250) has the molecular formula C39H34N2O and a molecular weight of 546.71 g/mol. Its IUPAC name is 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-6-piperidin-1-yl-10H-anthracen-9-one.

Molecular Properties

Compound Name2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-6-piperidin-1-yl-10H-anthracen-9-one
PubChem CID165377250
Molecular FormulaC39H34N2O
Molecular Weight546.71 g/mol
Exact Mass546.27
IUPAC Name2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-6-piperidin-1-yl-10H-anthracen-9-one
SMILESCc1cccc2c3cccc(C)c3n(-c3ccc(-c4ccc5c(c4)C(=O)c4ccc(N6CCCCC6)cc4C5)cc3)c12
InChIInChI=1S/C39H34N2O/c1-25-8-6-10-34-35-11-7-9-26(2)38(35)41(37(25)34)31-16-14-27(15-17-31)28-12-13-29-22-30-23-32(40-20-4-3-5-21-40)18-19-33(30)39(42)36(29)24-28/h6-19,23-24H,3-5,20-22H2,1-2H3
InChIKeyWNDBKIXHHBDKHA-UHFFFAOYSA-N
XLogP9.19
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,8-dimethyl-9-[4-methyl-3-(1-methyl-4-pyrrolidin-1-ylpyridin-1-ium-2-yl)phenyl]carbazole
CID 167400606
6-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,3-diphenylxanthen-9-one
CID 165377171
tert-butyl 4-(10-oxo-7-piperidin-1-yl-9H-anthracen-2-yl)piperazine-1-carboxylate
CID 169302275
3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]-10,10-dimethyl-6-(N-phenylanilino)anthracen-9-one
CID 165377184
2-[4-(11-methyl-[1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]thioxanthen-9-one
CID 165377182
1-[4-(2-methylphenyl)phenyl]pyrrolidine
CID 168512930
9-(9H-fluoren-2-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole
CID 118475206
9-[4-(6-tert-butyl-9H-fluoren-3-yl)phenyl]carbazole
CID 157409455
9-[4-[6-(4-ethylphenyl)-9H-fluoren-3-yl]phenyl]carbazole
CID 159891621
2-naphthalen-2-yl-10H-anthracen-9-one
CID 141288908
1-methyl-6-phenyl-9H-fluorene
CID 157259892
3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one
CID 165377158

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-6-piperidin-1-yl-10H-anthracen-9-one?
The IUPAC name of 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-6-piperidin-1-yl-10H-anthracen-9-one (CID 165377250) is 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-6-piperidin-1-yl-10H-anthracen-9-one.
What is the SMILES notation for 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-6-piperidin-1-yl-10H-anthracen-9-one?
The canonical SMILES for 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-6-piperidin-1-yl-10H-anthracen-9-one is Cc1cccc2c3cccc(C)c3n(-c3ccc(-c4ccc5c(c4)C(=O)c4ccc(N6CCCCC6)cc4C5)cc3)c12.
What is the InChIKey of 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-6-piperidin-1-yl-10H-anthracen-9-one?
The InChIKey is WNDBKIXHHBDKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N2O/c1-25-8-6-10-34-35-11-7-9-26(2)38(35)41(37(25)34)31-16-14-27(15-17-31)28-12-13-29-22-30-23-32(40-20-4-3-5-21-40)18-19-33(30)39(42)36(29)24-28/h6-19,23-24H,3-5,20-22H2,1-2H3.
What are the key properties of 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-6-piperidin-1-yl-10H-anthracen-9-one?
2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-6-piperidin-1-yl-10H-anthracen-9-one has a molecular weight of 546.71 g/mol, XLogP of 9.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-6-piperidin-1-yl-10H-anthracen-9-one is sourced from PubChem (CID 165377250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).