3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]-10,10-dimethyl-6-(N-phenylanilino)anthracen-9-one

C48H38N2O — CID 165377184

IUPAC3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]-10,10-dimethyl-6-(N-phenylanilino)anthracen-9-one
SMILESCc1cccc2c3cccc(C)c3n(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)ccc4C5=O)c3)c12
InChIInChI=1S/C48H38N2O/c1-31-14-11-22-39-40-23-12-15-32(2)46(40)50(45(31)39)37-21-13-16-33(28-37)34-24-26-41-43(29-34)48(3,4)44-30-38(25-27-42(44)47(41)51)49(35-17-7-5-8-18-35)36-19-9-6-10-20-36/h5-30H,1-4H3
InChIKeyMDKQVIYRSKSHHH-UHFFFAOYSA-N
MW658.85 g/mol
LogP12.41
Rot. Bonds5

About 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]-10,10-dimethyl-6-(N-phenylanilino)anthracen-9-one

3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]-10,10-dimethyl-6-(N-phenylanilino)anthracen-9-one (PubChem CID 165377184) has the molecular formula C48H38N2O and a molecular weight of 658.85 g/mol. Its IUPAC name is 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]-10,10-dimethyl-6-(N-phenylanilino)anthracen-9-one.

Molecular Properties

Compound Name3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]-10,10-dimethyl-6-(N-phenylanilino)anthracen-9-one
PubChem CID165377184
Molecular FormulaC48H38N2O
Molecular Weight658.85 g/mol
Exact Mass658.30
IUPAC Name3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]-10,10-dimethyl-6-(N-phenylanilino)anthracen-9-one
SMILESCc1cccc2c3cccc(C)c3n(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)ccc4C5=O)c3)c12
InChIInChI=1S/C48H38N2O/c1-31-14-11-22-39-40-23-12-15-32(2)46(40)50(45(31)39)37-21-13-16-33(28-37)34-24-26-41-43(29-34)48(3,4)44-30-38(25-27-42(44)47(41)51)49(35-17-7-5-8-18-35)36-19-9-6-10-20-36/h5-30H,1-4H3
InChIKeyMDKQVIYRSKSHHH-UHFFFAOYSA-N
XLogP12.41
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.85
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 87412305
7-carbazol-9-yl-9,9-dimethyl-N,N-bis[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390067
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390145
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58390142
9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428426
4-methyl-N-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline
CID 170261151
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 58161658
7-carbazol-9-yl-N-[3-[4-[3-[10-(2,6-dimethylphenyl)benzo[c]carbazol-7-yl]phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 134370791
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 71038279

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]-10,10-dimethyl-6-(N-phenylanilino)anthracen-9-one?
The IUPAC name of 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]-10,10-dimethyl-6-(N-phenylanilino)anthracen-9-one (CID 165377184) is 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]-10,10-dimethyl-6-(N-phenylanilino)anthracen-9-one.
What is the SMILES notation for 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]-10,10-dimethyl-6-(N-phenylanilino)anthracen-9-one?
The canonical SMILES for 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]-10,10-dimethyl-6-(N-phenylanilino)anthracen-9-one is Cc1cccc2c3cccc(C)c3n(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)ccc4C5=O)c3)c12.
What is the InChIKey of 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]-10,10-dimethyl-6-(N-phenylanilino)anthracen-9-one?
The InChIKey is MDKQVIYRSKSHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2O/c1-31-14-11-22-39-40-23-12-15-32(2)46(40)50(45(31)39)37-21-13-16-33(28-37)34-24-26-41-43(29-34)48(3,4)44-30-38(25-27-42(44)47(41)51)49(35-17-7-5-8-18-35)36-19-9-6-10-20-36/h5-30H,1-4H3.
What are the key properties of 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]-10,10-dimethyl-6-(N-phenylanilino)anthracen-9-one?
3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]-10,10-dimethyl-6-(N-phenylanilino)anthracen-9-one has a molecular weight of 658.85 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]-10,10-dimethyl-6-(N-phenylanilino)anthracen-9-one is sourced from PubChem (CID 165377184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).