2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one

C55H42N2O — CID 142288595

IUPAC2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2cc(-c3ccc4c(c3)c3ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc3n4-c3ccccc3)ccc21
InChIInChI=1S/C55H42N2O/c1-54(2)48-22-14-12-20-44(48)53(58)46-32-35(23-29-49(46)54)36-24-30-51-45(31-36)43-28-26-40(34-52(43)57(51)38-17-9-6-10-18-38)56(37-15-7-5-8-16-37)39-25-27-42-41-19-11-13-21-47(41)55(3,4)50(42)33-39/h5-34H,1-4H3
InChIKeyQYIIOEQDHFYMQQ-UHFFFAOYSA-N
MW746.95 g/mol
LogP14.10
Rot. Bonds5

About 2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one

2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one (PubChem CID 142288595) has the molecular formula C55H42N2O and a molecular weight of 746.95 g/mol. Its IUPAC name is 2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one.

Molecular Properties

Compound Name2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one
PubChem CID142288595
Molecular FormulaC55H42N2O
Molecular Weight746.95 g/mol
Exact Mass746.33
IUPAC Name2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2cc(-c3ccc4c(c3)c3ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc3n4-c3ccccc3)ccc21
InChIInChI=1S/C55H42N2O/c1-54(2)48-22-14-12-20-44(48)53(58)46-32-35(23-29-49(46)54)36-24-30-51-45(31-36)43-28-26-40(34-52(43)57(51)38-17-9-6-10-18-38)56(37-15-7-5-8-16-37)39-25-27-42-41-19-11-13-21-47(41)55(3,4)50(42)33-39/h5-34H,1-4H3
InChIKeyQYIIOEQDHFYMQQ-UHFFFAOYSA-N
XLogP14.10
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.95
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147
9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038312
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7'-(9-phenylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 58084625
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
6,6,12,12-tetramethyl-9-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 169284384
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505

Frequently Asked Questions

What is the IUPAC name of 2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one?
The IUPAC name of 2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one (CID 142288595) is 2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one.
What is the SMILES notation for 2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one?
The canonical SMILES for 2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one is CC1(C)c2ccccc2C(=O)c2cc(-c3ccc4c(c3)c3ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc3n4-c3ccccc3)ccc21.
What is the InChIKey of 2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one?
The InChIKey is QYIIOEQDHFYMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2O/c1-54(2)48-22-14-12-20-44(48)53(58)46-32-35(23-29-49(46)54)36-24-30-51-45(31-36)43-28-26-40(34-52(43)57(51)38-17-9-6-10-18-38)56(37-15-7-5-8-16-37)39-25-27-42-41-19-11-13-21-47(41)55(3,4)50(42)33-39/h5-34H,1-4H3.
What are the key properties of 2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one?
2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one has a molecular weight of 746.95 g/mol, XLogP of 14.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one is sourced from PubChem (CID 142288595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).