9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole

C62H43N3S — CID 166995680

IUPAC9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2C2(c3ccccc3Sc3ccccc32)c2cccc(-c3ccc(-c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc(-c5ccccc5)n4)cc3)c21
InChIInChI=1S/C62H43N3S/c1-61(2)48-22-8-9-23-49(48)62(50-24-10-14-29-57(50)66-58-30-15-11-25-51(58)62)52-26-16-21-45(59(52)61)40-31-33-41(34-32-40)53-39-54(64-60(63-53)43-17-4-3-5-18-43)42-35-37-44(38-36-42)65-55-27-12-6-19-46(55)47-20-7-13-28-56(47)65/h3-39H,1-2H3
InChIKeyZKTMFKBCEJKBNS-UHFFFAOYSA-N
MW862.11 g/mol
LogP15.73
Rot. Bonds5

About 9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole

9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole (PubChem CID 166995680) has the molecular formula C62H43N3S and a molecular weight of 862.11 g/mol. Its IUPAC name is 9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
PubChem CID166995680
Molecular FormulaC62H43N3S
Molecular Weight862.11 g/mol
Exact Mass861.32
IUPAC Name9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2C2(c3ccccc3Sc3ccccc32)c2cccc(-c3ccc(-c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc(-c5ccccc5)n4)cc3)c21
InChIInChI=1S/C62H43N3S/c1-61(2)48-22-8-9-23-49(48)62(50-24-10-14-29-57(50)66-58-30-15-11-25-51(58)62)52-26-16-21-45(59(52)61)40-31-33-41(34-32-40)53-39-54(64-60(63-53)43-17-4-3-5-18-43)42-35-37-44(38-36-42)65-55-27-12-6-19-46(55)47-20-7-13-28-56(47)65/h3-39H,1-2H3
InChIKeyZKTMFKBCEJKBNS-UHFFFAOYSA-N
XLogP15.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.11
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole 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

9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 146326783
10'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]
CID 134351728
9-[4-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 166737994
9-[4-[4-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146494679
3-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 145441726
2'-(2,6-diphenylpyrimidin-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]
CID 135140007
CID 146184551
CID 146184551
5-[2-[2-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)-6-phenylpyrimidin-4-yl]phenyl]-1'-(2,6-diphenylpyrimidin-4-yl)-9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]
CID 163717032
9-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2'-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole
CID 166995555
11-[4-(3,5-diphenylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 158828400
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690
9-phenyl-3-(5'-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole
CID 118698364

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole (CID 166995680) is 9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole is CC1(C)c2ccccc2C2(c3ccccc3Sc3ccccc32)c2cccc(-c3ccc(-c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc(-c5ccccc5)n4)cc3)c21.
What is the InChIKey of 9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole?
The InChIKey is ZKTMFKBCEJKBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N3S/c1-61(2)48-22-8-9-23-49(48)62(50-24-10-14-29-57(50)66-58-30-15-11-25-51(58)62)52-26-16-21-45(59(52)61)40-31-33-41(34-32-40)53-39-54(64-60(63-53)43-17-4-3-5-18-43)42-35-37-44(38-36-42)65-55-27-12-6-19-46(55)47-20-7-13-28-56(47)65/h3-39H,1-2H3.
What are the key properties of 9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole?
9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole has a molecular weight of 862.11 g/mol, XLogP of 15.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 166995680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).