10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole

C38H23FN2S — CID 118150020

IUPAC10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6sc7ccccc7c65)cc4)ccc32)cc1
InChIInChI=1S/C38H23FN2S/c39-26-16-20-27(21-17-26)40-33-10-4-1-7-29(33)32-23-25(15-22-35(32)40)24-13-18-28(19-14-24)41-34-11-5-2-8-30(34)38-37(41)31-9-3-6-12-36(31)42-38/h1-23H
InChIKeyFRCDDMDOEQAHAW-UHFFFAOYSA-N
MW558.68 g/mol
LogP10.90
Rot. Bonds3

About 10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole

10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole (PubChem CID 118150020) has the molecular formula C38H23FN2S and a molecular weight of 558.68 g/mol. Its IUPAC name is 10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole
PubChem CID118150020
Molecular FormulaC38H23FN2S
Molecular Weight558.68 g/mol
Exact Mass558.16
IUPAC Name10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6sc7ccccc7c65)cc4)ccc32)cc1
InChIInChI=1S/C38H23FN2S/c39-26-16-20-27(21-17-26)40-33-10-4-1-7-29(33)32-23-25(15-22-35(32)40)24-13-18-28(19-14-24)41-34-11-5-2-8-30(34)38-37(41)31-9-3-6-12-36(31)42-38/h1-23H
InChIKeyFRCDDMDOEQAHAW-UHFFFAOYSA-N
XLogP10.90
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.68
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 90050986
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline
CID 144585475
[4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane
CID 123144091
12-phenyl-18-[4-(9-phenylcarbazol-3-yl)phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121286512
[4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane
CID 123963134
12-naphthalen-2-yl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 157242347
7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828540
12-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 167193410
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole
CID 23534181
1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828
9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole
CID 23534185

Frequently Asked Questions

What is the IUPAC name of 10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole (CID 118150020) is 10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole is Fc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6sc7ccccc7c65)cc4)ccc32)cc1.
What is the InChIKey of 10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole?
The InChIKey is FRCDDMDOEQAHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23FN2S/c39-26-16-20-27(21-17-26)40-33-10-4-1-7-29(33)32-23-25(15-22-35(32)40)24-13-18-28(19-14-24)41-34-11-5-2-8-30(34)38-37(41)31-9-3-6-12-36(31)42-38/h1-23H.
What are the key properties of 10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole?
10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole has a molecular weight of 558.68 g/mol, XLogP of 10.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 118150020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).