2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole

C46H32N2S — CID 145327611

IUPAC2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c(-c5ccc(-c6nc7ccccc7s6)cc5)cccc3n4-c3ccccc3)cc21
InChIInChI=1S/C46H32N2S/c1-46(2)38-15-7-6-13-35(38)36-25-23-32(28-39(36)46)31-24-26-41-37(27-31)44-34(14-10-17-42(44)48(41)33-11-4-3-5-12-33)29-19-21-30(22-20-29)45-47-40-16-8-9-18-43(40)49-45/h3-28H,1-2H3
InChIKeyMONNDYUPRRXYIS-UHFFFAOYSA-N
MW644.84 g/mol
LogP12.70
Rot. Bonds4

About 2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole

2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole (PubChem CID 145327611) has the molecular formula C46H32N2S and a molecular weight of 644.84 g/mol. Its IUPAC name is 2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole
PubChem CID145327611
Molecular FormulaC46H32N2S
Molecular Weight644.84 g/mol
Exact Mass644.23
IUPAC Name2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c(-c5ccc(-c6nc7ccccc7s6)cc5)cccc3n4-c3ccccc3)cc21
InChIInChI=1S/C46H32N2S/c1-46(2)38-15-7-6-13-35(38)36-25-23-32(28-39(36)46)31-24-26-41-37(27-31)44-34(14-10-17-42(44)48(41)33-11-4-3-5-12-33)29-19-21-30(22-20-29)45-47-40-16-8-9-18-43(40)49-45/h3-28H,1-2H3
InChIKeyMONNDYUPRRXYIS-UHFFFAOYSA-N
XLogP12.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.84
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole 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

2-[7-[7-[10-(1,3-benzothiazol-2-yl)benzo[c]carbazol-7-yl]-9,9-dimethylfluoren-2-yl]benzo[c]carbazol-10-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[9-[7-[3-(1,3-benzothiazol-2-yl)-6-phenylcarbazol-9-yl]-9,9-dimethylfluoren-2-yl]-6-phenylcarbazol-3-yl]-1,3-benzothiazole
CID 158903280
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 145327538
3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole
CID 145327908
5-[3-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265309
3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole
CID 163759437
3-[3-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 161303255
2-[3-[12-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzothiazole
CID 166582827
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155334819
5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 126632761
11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 146541406
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine
CID 121358609

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole (CID 145327611) is 2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c(-c5ccc(-c6nc7ccccc7s6)cc5)cccc3n4-c3ccccc3)cc21.
What is the InChIKey of 2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole?
The InChIKey is MONNDYUPRRXYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2S/c1-46(2)38-15-7-6-13-35(38)36-25-23-32(28-39(36)46)31-24-26-41-37(27-31)44-34(14-10-17-42(44)48(41)33-11-4-3-5-12-33)29-19-21-30(22-20-29)45-47-40-16-8-9-18-43(40)49-45/h3-28H,1-2H3.
What are the key properties of 2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole?
2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole has a molecular weight of 644.84 g/mol, XLogP of 12.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-yl]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 145327611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).