9-phenyl-2-[7-(9-phenylcarbazol-2-yl)thianthren-2-yl]carbazole

C48H30N2S2 — CID 156634440

IUPAC9-phenyl-2-[7-(9-phenylcarbazol-2-yl)thianthren-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)Sc4ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc4S5)cc32)cc1
InChIInChI=1S/C48H30N2S2/c1-3-11-35(12-4-1)49-41-17-9-7-15-37(41)39-23-19-31(27-43(39)49)33-21-25-45-47(29-33)51-46-26-22-34(30-48(46)52-45)32-20-24-40-38-16-8-10-18-42(38)50(44(40)28-32)36-13-5-2-6-14-36/h1-30H
InChIKeyGFXUOZFANRKBCN-UHFFFAOYSA-N
MW698.92 g/mol
LogP13.83
Rot. Bonds4

About 9-phenyl-2-[7-(9-phenylcarbazol-2-yl)thianthren-2-yl]carbazole

9-phenyl-2-[7-(9-phenylcarbazol-2-yl)thianthren-2-yl]carbazole (PubChem CID 156634440) has the molecular formula C48H30N2S2 and a molecular weight of 698.92 g/mol. Its IUPAC name is 9-phenyl-2-[7-(9-phenylcarbazol-2-yl)thianthren-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-2-[7-(9-phenylcarbazol-2-yl)thianthren-2-yl]carbazole
PubChem CID156634440
Molecular FormulaC48H30N2S2
Molecular Weight698.92 g/mol
Exact Mass698.19
IUPAC Name9-phenyl-2-[7-(9-phenylcarbazol-2-yl)thianthren-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)Sc4ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc4S5)cc32)cc1
InChIInChI=1S/C48H30N2S2/c1-3-11-35(12-4-1)49-41-17-9-7-15-37(41)39-23-19-31(27-43(39)49)33-21-25-45-47(29-33)51-46-26-22-34(30-48(46)52-45)32-20-24-40-38-16-8-10-18-42(38)50(44(40)28-32)36-13-5-2-6-14-36/h1-30H
InChIKeyGFXUOZFANRKBCN-UHFFFAOYSA-N
XLogP13.83
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.92
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
9-phenyl-2-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698345
9-phenyl-2-(2'-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698311
9-phenyl-2-(6-phenyl-9,9'-spirobi[thioxanthene]-2-yl)carbazole
CID 118698357
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[7-(9-phenylcarbazol-2-yl)thianthren-2-yl]carbazole?
The IUPAC name of 9-phenyl-2-[7-(9-phenylcarbazol-2-yl)thianthren-2-yl]carbazole (CID 156634440) is 9-phenyl-2-[7-(9-phenylcarbazol-2-yl)thianthren-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-2-[7-(9-phenylcarbazol-2-yl)thianthren-2-yl]carbazole?
The canonical SMILES for 9-phenyl-2-[7-(9-phenylcarbazol-2-yl)thianthren-2-yl]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)Sc4ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc4S5)cc32)cc1.
What is the InChIKey of 9-phenyl-2-[7-(9-phenylcarbazol-2-yl)thianthren-2-yl]carbazole?
The InChIKey is GFXUOZFANRKBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S2/c1-3-11-35(12-4-1)49-41-17-9-7-15-37(41)39-23-19-31(27-43(39)49)33-21-25-45-47(29-33)51-46-26-22-34(30-48(46)52-45)32-20-24-40-38-16-8-10-18-42(38)50(44(40)28-32)36-13-5-2-6-14-36/h1-30H.
What are the key properties of 9-phenyl-2-[7-(9-phenylcarbazol-2-yl)thianthren-2-yl]carbazole?
9-phenyl-2-[7-(9-phenylcarbazol-2-yl)thianthren-2-yl]carbazole has a molecular weight of 698.92 g/mol, XLogP of 13.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-[7-(9-phenylcarbazol-2-yl)thianthren-2-yl]carbazole is sourced from PubChem (CID 156634440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).