2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole

C41H27NS — CID 146578996

IUPAC2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(C5c6ccccc6Sc6ccc7ccccc7c65)cc4)cc32)cc1
InChIInChI=1S/C41H27NS/c1-2-11-31(12-3-1)42-36-16-8-6-14-33(36)34-24-22-30(26-37(34)42)27-18-20-29(21-19-27)40-35-15-7-9-17-38(35)43-39-25-23-28-10-4-5-13-32(28)41(39)40/h1-26,40H
InChIKeyIFYFMJHNCPZKLJ-UHFFFAOYSA-N
MW565.74 g/mol
LogP11.25
Rot. Bonds3

About 2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole

2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole (PubChem CID 146578996) has the molecular formula C41H27NS and a molecular weight of 565.74 g/mol. Its IUPAC name is 2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole
PubChem CID146578996
Molecular FormulaC41H27NS
Molecular Weight565.74 g/mol
Exact Mass565.19
IUPAC Name2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(C5c6ccccc6Sc6ccc7ccccc7c65)cc4)cc32)cc1
InChIInChI=1S/C41H27NS/c1-2-11-31(12-3-1)42-36-16-8-6-14-33(36)34-24-22-30(26-37(34)42)27-18-20-29(21-19-27)40-35-15-7-9-17-38(35)43-39-25-23-28-10-4-5-13-32(28)41(39)40/h1-26,40H
InChIKeyIFYFMJHNCPZKLJ-UHFFFAOYSA-N
XLogP11.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.74
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole 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-(4-phenanthren-2-ylphenyl)-13-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578700
9-phenyl-2-[7-(9-phenylcarbazol-2-yl)thianthren-2-yl]carbazole
CID 156634440
2-[4-(14H-phenanthro[9,10-b]chromen-14-yl)phenyl]-9-phenylcarbazole
CID 146578203
2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole
CID 58250678
9-phenyl-2-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698345
2-[4-(12H-benzo[a]xanthen-12-yl)phenyl]-9-phenylcarbazole;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene;12-[4-(4-phenylphenyl)phenyl]-12H-benzo[a]xanthene
CID 162006774
9-phenyl-2-(6-phenyl-9,9'-spirobi[thioxanthene]-2-yl)carbazole
CID 118698357
9-phenyl-2-(2'-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698311
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529

Frequently Asked Questions

What is the IUPAC name of 2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole (CID 146578996) is 2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(C5c6ccccc6Sc6ccc7ccccc7c65)cc4)cc32)cc1.
What is the InChIKey of 2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole?
The InChIKey is IFYFMJHNCPZKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27NS/c1-2-11-31(12-3-1)42-36-16-8-6-14-33(36)34-24-22-30(26-37(34)42)27-18-20-29(21-19-27)40-35-15-7-9-17-38(35)43-39-25-23-28-10-4-5-13-32(28)41(39)40/h1-26,40H.
What are the key properties of 2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole?
2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole has a molecular weight of 565.74 g/mol, XLogP of 11.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 146578996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).