12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole

C42H25FN2S — CID 126580020

IUPAC12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESFc1ccc2sc3c(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)cc4)cccc3c2c1
InChIInChI=1S/C42H25FN2S/c43-27-19-24-39-36(25-27)35-14-8-13-30(42(35)46-39)26-17-20-29(21-18-26)45-38-16-7-5-12-32(38)34-23-22-33-31-11-4-6-15-37(31)44(40(33)41(34)45)28-9-2-1-3-10-28/h1-25H
InChIKeyCKFLAFULNGZXRB-UHFFFAOYSA-N
MW608.74 g/mol
LogP12.05
Rot. Bonds3

About 12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole

12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 126580020) has the molecular formula C42H25FN2S and a molecular weight of 608.74 g/mol. Its IUPAC name is 12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
PubChem CID126580020
Molecular FormulaC42H25FN2S
Molecular Weight608.74 g/mol
Exact Mass608.17
IUPAC Name12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESFc1ccc2sc3c(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)cc4)cccc3c2c1
InChIInChI=1S/C42H25FN2S/c43-27-19-24-39-36(25-27)35-14-8-13-30(42(35)46-39)26-17-20-29(21-18-26)45-38-16-7-5-12-32(38)34-23-22-33-31-11-4-6-15-37(31)44(40(33)41(34)45)28-9-2-1-3-10-28/h1-25H
InChIKeyCKFLAFULNGZXRB-UHFFFAOYSA-N
XLogP12.05
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.74
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole (CID 126580020) is 12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole is Fc1ccc2sc3c(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)cc4)cccc3c2c1.
What is the InChIKey of 12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is CKFLAFULNGZXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25FN2S/c43-27-19-24-39-36(25-27)35-14-8-13-30(42(35)46-39)26-17-20-29(21-18-26)45-38-16-7-5-12-32(38)34-23-22-33-31-11-4-6-15-37(31)44(40(33)41(34)45)28-9-2-1-3-10-28/h1-25H.
What are the key properties of 12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 608.74 g/mol, XLogP of 12.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 126580020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).