3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine

C45H32N2S — CID 134475698

IUPAC3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5ccccc5N6c5ccccc5)ccc43)ccc21
InChIInChI=1S/C45H32N2S/c1-45(2)37-16-8-6-14-33(37)35-28-32(22-23-38(35)45)47-39-17-9-7-15-34(39)36-26-29(20-24-40(36)47)30-21-25-42-44(27-30)48-43-19-11-10-18-41(43)46(42)31-12-4-3-5-13-31/h3-28H,1-2H3
InChIKeyNCJRFHGDDRIMMP-UHFFFAOYSA-N
MW632.83 g/mol
LogP12.69
Rot. Bonds3

About 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine

3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine (PubChem CID 134475698) has the molecular formula C45H32N2S and a molecular weight of 632.83 g/mol. Its IUPAC name is 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine.

Molecular Properties

Compound Name3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine
PubChem CID134475698
Molecular FormulaC45H32N2S
Molecular Weight632.83 g/mol
Exact Mass632.23
IUPAC Name3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5ccccc5N6c5ccccc5)ccc43)ccc21
InChIInChI=1S/C45H32N2S/c1-45(2)37-16-8-6-14-33(37)35-28-32(22-23-38(35)45)47-39-17-9-7-15-34(39)36-26-29(20-24-40(36)47)30-21-25-42-44(27-30)48-43-19-11-10-18-41(43)46(42)31-12-4-3-5-13-31/h3-28H,1-2H3
InChIKeyNCJRFHGDDRIMMP-UHFFFAOYSA-N
XLogP12.69
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.83
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine 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

10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine
CID 134475783
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
9,9-dimethyl-10-phenyl-2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]acridine;10-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenoxazine;10-phenyl-3-[9-phenyl-6-(10-phenylphenothiazin-3-yl)carbazol-3-yl]phenoxazine
CID 161400773
10-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenothiazine
CID 134476408
3-carbazol-9-yl-10-methyl-7-phenothiazin-10-ylphenothiazine;9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;10-methyl-3,7-di(phenothiazin-10-yl)phenothiazine;3-(10-methylphenothiazin-3-yl)-10-phenylphenothiazine
CID 161232958
14,14-dimethyl-11-(9-phenylcarbazol-3-yl)-8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 67416472
3,6-bis(4-carbazol-9-ylphenyl)-9-methylcarbazole;3-(4-carbazol-9-ylphenyl)-9-methylcarbazole;10-methyl-3,7-bis(9-phenylcarbazol-3-yl)phenothiazine;10-methyl-3,7-bis(10-phenylphenothiazin-3-yl)phenothiazine;3-[9-methyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-phenylphenothiazine;10-methyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine
CID 159664393
10-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenothiazine;3-carbazol-9-yl-10-methylphenothiazine;3-carbazol-9-yl-10-methyl-7-phenothiazin-10-ylphenothiazine;3,7-di(carbazol-9-yl)-10-methylphenothiazine;9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;10-(9-methylcarbazol-3-yl)phenothiazine;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;10-methyl-3,7-di(phenothiazin-10-yl)phenothiazine;10-(9-methyl-6-phenothiazin-10-ylcarbazol-3-yl)phenothiazine;3-(10-methylphenothiazin-3-yl)-10-phenylphenothiazine
CID 159798260
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162
10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine
CID 134476041
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
14-(4-fluorophenyl)-10,10,21,21-tetramethyl-18-(9-phenylcarbazol-3-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227839

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine?
The IUPAC name of 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine (CID 134475698) is 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine.
What is the SMILES notation for 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine?
The canonical SMILES for 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5ccccc5N6c5ccccc5)ccc43)ccc21.
What is the InChIKey of 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine?
The InChIKey is NCJRFHGDDRIMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2S/c1-45(2)37-16-8-6-14-33(37)35-28-32(22-23-38(35)45)47-39-17-9-7-15-34(39)36-26-29(20-24-40(36)47)30-21-25-42-44(27-30)48-43-19-11-10-18-41(43)46(42)31-12-4-3-5-13-31/h3-28H,1-2H3.
What are the key properties of 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine?
3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine has a molecular weight of 632.83 g/mol, XLogP of 12.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine is sourced from PubChem (CID 134475698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).