N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine

C38H23FN2OS — CID 155135319

IUPACN-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)sc4c6ccccc6oc54)ccc32)cc1
InChIInChI=1S/C38H23FN2OS/c39-24-14-16-26(17-15-24)41-33-12-6-4-10-29(33)32-22-27(19-21-34(32)41)40(25-8-2-1-3-9-25)28-18-20-31-36(23-28)43-38-30-11-5-7-13-35(30)42-37(31)38/h1-23H
InChIKeyKXZHDTPOWAYNSK-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.51
Rot. Bonds4

About N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine

N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine (PubChem CID 155135319) has the molecular formula C38H23FN2OS and a molecular weight of 574.68 g/mol. Its IUPAC name is N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
PubChem CID155135319
Molecular FormulaC38H23FN2OS
Molecular Weight574.68 g/mol
Exact Mass574.15
IUPAC NameN-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)sc4c6ccccc6oc54)ccc32)cc1
InChIInChI=1S/C38H23FN2OS/c39-24-14-16-26(17-15-24)41-33-12-6-4-10-29(33)32-22-27(19-21-34(32)41)40(25-8-2-1-3-9-25)28-18-20-31-36(23-28)43-38-30-11-5-7-13-35(30)42-37(31)38/h1-23H
InChIKeyKXZHDTPOWAYNSK-UHFFFAOYSA-N
XLogP11.51
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine with MolForge

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Related Compounds

8,21-Difluoro-26-(4-methylphenyl)-13-oxa-5,18-dithia-26-azaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene
CID 58340028
3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
N-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-carbazol-9-yl-N-(4-fluorophenyl)aniline
CID 66585365
N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 68230409
3,6-Di(carbazol-9-yl)-9-(8-fluorodibenzofuran-2-yl)carbazole
CID 89505208
11-[6-(2,3,5,6-Tetrafluorophenyl)dibenzothiophen-4-yl]-[1]benzofuro[3,2-b]carbazole
CID 122435450
11-[4-(8-Fluorodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 126580179
29-(4-Carbazol-9-ylphenyl)-6,21-difluoro-9-oxa-18-thia-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.019,24]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),19(24),20,22,26-tridecaene
CID 130382005
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-(trifluoromethyl)carbazole
CID 134343628
N-[5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-2-methylsulfanylphenyl]methanimine
CID 134343667
11-[4-[2-[2,4,6-Tris(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 135252636

Frequently Asked Questions

What is the IUPAC name of N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine?
The IUPAC name of N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine (CID 155135319) is N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine.
What is the SMILES notation for N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine?
The canonical SMILES for N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)sc4c6ccccc6oc54)ccc32)cc1.
What is the InChIKey of N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine?
The InChIKey is KXZHDTPOWAYNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23FN2OS/c39-24-14-16-26(17-15-24)41-33-12-6-4-10-29(33)32-22-27(19-21-34(32)41)40(25-8-2-1-3-9-25)28-18-20-31-36(23-28)43-38-30-11-5-7-13-35(30)42-37(31)38/h1-23H.
What are the key properties of N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine?
N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine has a molecular weight of 574.68 g/mol, XLogP of 11.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine is sourced from PubChem (CID 155135319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).