10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran

C38H30OS — CID 134517125

IUPAC10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran
SMILESCC(C)c1ccc2sc3ccc4c(CC(C)c5ccc6oc7ccc8ccccc8c7c6c5)cccc4c3c2c1
InChIInChI=1S/C38H30OS/c1-22(2)25-13-17-35-32(20-25)38-30-10-6-8-27(28(30)14-18-36(38)40-35)19-23(3)26-12-15-33-31(21-26)37-29-9-5-4-7-24(29)11-16-34(37)39-33/h4-18,20-23H,19H2,1-3H3
InChIKeyQJVNUEXZSXMZRY-UHFFFAOYSA-N
MW534.72 g/mol
LogP11.73
Rot. Bonds4

About 10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran

10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 134517125) has the molecular formula C38H30OS and a molecular weight of 534.72 g/mol. Its IUPAC name is 10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran
PubChem CID134517125
Molecular FormulaC38H30OS
Molecular Weight534.72 g/mol
Exact Mass534.20
IUPAC Name10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran
SMILESCC(C)c1ccc2sc3ccc4c(CC(C)c5ccc6oc7ccc8ccccc8c7c6c5)cccc4c3c2c1
InChIInChI=1S/C38H30OS/c1-22(2)25-13-17-35-32(20-25)38-30-10-6-8-27(28(30)14-18-36(38)40-35)19-23(3)26-12-15-33-31(21-26)37-29-9-5-4-7-24(29)11-16-34(37)39-33/h4-18,20-23H,19H2,1-3H3
InChIKeyQJVNUEXZSXMZRY-UHFFFAOYSA-N
XLogP11.73
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.72
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-propan-2-ylnaphtho[2,1-b][1]benzothiole
CID 71126581
N-phenyl-N-(4-propan-2-ylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 90263586
8-propan-2-ylnaphtho[1,2-b][1]benzothiole
CID 158779749
3-(10-naphtho[2,1-b][1]benzothiol-10-ylanthracen-9-yl)dibenzofuran
CID 122425780
8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole
CID 165031504
8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine
CID 170044237
N-(9-phenanthren-2-yldibenzothiophen-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 172508784
N-naphtho[2,1-b][1]benzothiol-10-yl-9-phenanthren-2-yl-N-phenyldibenzofuran-2-amine
CID 172508793
2,4-diphenyl-6-[3-(22-thiahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-1,3,5-triazine;2-[3-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165060528
4-naphtho[2,1-b][1]benzothiol-10-yl-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran
CID 170940458
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine
CID 170039344
4-[(2R)-1-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]propan-2-yl]-21-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-19-naphtho[2,1-b][1]benzothiol-8-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 142571837

Frequently Asked Questions

What is the IUPAC name of 10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran (CID 134517125) is 10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran is CC(C)c1ccc2sc3ccc4c(CC(C)c5ccc6oc7ccc8ccccc8c7c6c5)cccc4c3c2c1.
What is the InChIKey of 10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran?
The InChIKey is QJVNUEXZSXMZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30OS/c1-22(2)25-13-17-35-32(20-25)38-30-10-6-8-27(28(30)14-18-36(38)40-35)19-23(3)26-12-15-33-31(21-26)37-29-9-5-4-7-24(29)11-16-34(37)39-33/h4-18,20-23H,19H2,1-3H3.
What are the key properties of 10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran?
10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 534.72 g/mol, XLogP of 11.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1-(10-propan-2-ylnaphtho[2,1-b][1]benzothiol-4-yl)propan-2-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 134517125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).